3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 438541-85-6) is a chemical compound with molecular formula C9H17N3S and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-5-propan-2-yl-3H-pyrazole-2-carbothioamide
Also Known As: 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, 4,4-dimethyl-5-propan-2-yl-3H-pyrazole-2-carbothioamide, 3-ISOPROPYL-4,4-DIMETHYL-5H-PYRAZOLE-1-CARBOTHIOAMIDE, amino[4,4-dimethyl-3-(methylethyl)(2-pyrazolinyl)]methane-1-thione, 4,4-dimethyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C9H17N3S |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 1.5838 |
| Topological Polar Surface Area | 41.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.11432 |
| Heavy Atoms | 13 |
| Complexity | 255.58543 |
Chemical Identifiers
| CAS Number | 438541-85-6 |
|---|---|
| SMILES | CC(C)C1=NN(CC1(C)C)C(=S)N |
Product Overview
3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 438541-85-6), with molecular formula C9H17N3S and molecular weight 199.11 g/mol. IUPAC: 4,4-dimethyl-5-propan-2-yl-3H-pyrazole-2-carbothioamide.
Chemical Property Profile of 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 1.5838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide. With a topological polar surface area (TPSA) of 41.62 Ų, 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 438541-85-6.
What is the molecular formula of 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is C9H17N3S.
What is the molecular weight of 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 199.11 g/mol.
Where can I buy 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.