N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide
TL;DR: N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide (CAS 796103-22-5) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 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-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide
Also Known As: N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbothioyl)cyclopropanecarboxamide
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 1.68612 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 800.7887 |
Chemical Identifiers
| CAS Number | 796103-22-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=S)NC(=O)C3CC3 |
Product Overview
N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide (CAS 796103-22-5), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide.
Chemical Property Profile of N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide
Property Insights of N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide
The XLogP value of 1.68612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide. With a topological polar surface area (TPSA) of 56.03 Ų, N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide has 1 hydrogen bond donor(s) and 3 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-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide?
The CAS number of N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide is 796103-22-5.
What is the molecular formula of N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide?
The molecular formula of N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide is C16H17N3O2S.
What is the molecular weight of N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide?
The molecular weight of N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide is 315.10 g/mol.
Where can I buy N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide?
You can request a quote for N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide 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-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.