3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol
TL;DR: 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol (CAS 402601-45-0) is a chemical compound with molecular formula C7H12N2O and molecular weight 140.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one
Also Known As: 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol, 5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one, 3H-Pyrazol-3-one,1,2-dihydro-5-methyl-4- -, 3h-pyrazol-3-one,1,2-dihydro-5-methyl-4-(1-methylethyl)-, 3H-PYRAZOL-3-ONE, 1,2-DIHYDRO-5-METHYL-4-(1-METHYLETHYL)-
| Molecular Formula | C7H12N2O |
|---|---|
| Molecular Weight | 140.09 g/mol |
| LogP | 1.13482 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.09496 |
| Heavy Atoms | 10 |
| Complexity | 269.37863 |
Chemical Identifiers
| CAS Number | 402601-45-0 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C(C)C |
Product Overview
3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol (CAS 402601-45-0), with molecular formula C7H12N2O and molecular weight 140.09 g/mol. IUPAC: 5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol
Property Insights of 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol
The XLogP value of 1.13482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol. With a topological polar surface area (TPSA) of 48.65 Ų, 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol has 2 hydrogen bond donor(s) and 1 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-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol?
The CAS number of 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol is 402601-45-0.
What is the molecular formula of 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol?
The molecular formula of 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol is C7H12N2O.
What is the molecular weight of 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol?
The molecular weight of 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol is 140.09 g/mol.
Where can I buy 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol?
You can request a quote for 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.