![N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide structure](/static/products/5128/512807-49-7.webp)
N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide
TL;DR: N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide (CAS 512807-49-7) is a chemical compound with molecular formula C17H17IN6O2S and molecular weight 496.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-1-methylpyrazole-5-carboxamide
Also Known As: N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide, N-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-N'-[(4-IODO-1-METHYL-1H-PYRAZOL-5-YL)CARBONYL]THIOUREA, N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-4-iodo-1-methyl-1H-pyrazole-5-carboxamide, N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiocarbamoyl]-4-iodo-2-methyl-pyrazole-3-carboxamide
| Molecular Formula | C17H17IN6O2S |
|---|---|
| Molecular Weight | 496.02 g/mol |
| LogP | 1.94932 |
| Topological Polar Surface Area | 85.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 496.01785 |
| Heavy Atoms | 27 |
| Complexity | 1063.5315 |
Chemical Identifiers
| CAS Number | 512807-49-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=C(C=NN3C)I |
Product Overview
N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide (CAS 512807-49-7), with molecular formula C17H17IN6O2S and molecular weight 496.02 g/mol. IUPAC: N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-1-methylpyrazole-5-carboxamide.
Chemical Property Profile of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide
Property Insights of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide
The XLogP value of 1.94932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide. The TPSA of 85.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide?
The CAS number of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide is 512807-49-7.
What is the molecular formula of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide?
The molecular formula of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide is C17H17IN6O2S.
What is the molecular weight of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide?
The molecular weight of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide is 496.02 g/mol.
Where can I buy N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide?
You can request a quote for N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.