1H-pyrazol-1-ylmethanol
TL;DR: 1H-pyrazol-1-ylmethanol (CAS 91039-56-4) is a chemical compound with molecular formula C3H5N3 and molecular weight 83.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1H-1,2,4-triazole
Also Known As: 3-Methyl-1H-1,2,4-triazole, methyltriazole, 3-Methyl-1,2,4-triazole, 5-methyl-1H-1,2,4-triazole, s-Triazole, 3-methyl-
| Molecular Formula | C3H5N3 |
|---|---|
| Molecular Weight | 83.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 83.04835 |
| Heavy Atoms | 6 |
| Complexity | 45.0 |
Chemical Identifiers
| CAS Number | 91039-56-4 |
|---|---|
| SMILES | CC1=NC=NN1 |
| InChIKey | PZKFSRWSQOQYNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-pyrazol-1-ylmethanol (CAS 91039-56-4), with molecular formula C3H5N3 and molecular weight 83.05 g/mol. IUPAC: 5-methyl-1H-1,2,4-triazole.
Chemical Property Profile of 1H-pyrazol-1-ylmethanol
Property Insights of 1H-pyrazol-1-ylmethanol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-pyrazol-1-ylmethanol. With a topological polar surface area (TPSA) of 41.6 Ų, 1H-pyrazol-1-ylmethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-pyrazol-1-ylmethanol 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 1H-pyrazol-1-ylmethanol?
The CAS number of 1H-pyrazol-1-ylmethanol is 91039-56-4.
What is the molecular formula of 1H-pyrazol-1-ylmethanol?
The molecular formula of 1H-pyrazol-1-ylmethanol is C3H5N3.
What is the molecular weight of 1H-pyrazol-1-ylmethanol?
The molecular weight of 1H-pyrazol-1-ylmethanol is 83.05 g/mol.
Where can I buy 1H-pyrazol-1-ylmethanol?
You can request a quote for 1H-pyrazol-1-ylmethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-pyrazol-1-ylmethanol?
Yes, KEHONG BIO provides custom synthesis services for 1H-pyrazol-1-ylmethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.