1H-Pyrazole, hydrochloride (1:1)
TL;DR: 1H-Pyrazole, hydrochloride (1:1) (CAS 40642-27-1) is a chemical compound with molecular formula C3H5ClN2 and molecular weight 104.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-pyrazole;hydrochloride
Also Known As: pyrazole hydrochloride, 1H-pyrazole Hydrochloride, 1h-pyrazole hydrochloride(1:1), 1H-pyrazole,hydrochloride, 1H-Pyrazole, hydrochloride (1:1)
| Molecular Formula | C3H5ClN2 |
|---|---|
| Molecular Weight | 104.01 g/mol |
| LogP | 0.8315 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.01413 |
| Heavy Atoms | 6 |
| Complexity | 28.0 |
Chemical Identifiers
| CAS Number | 40642-27-1 |
|---|---|
| SMILES | C1=CNN=C1.Cl |
| InChIKey | JHTKOUJDEUQFOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrazole, hydrochloride (1:1) (CAS 40642-27-1), with molecular formula C3H5ClN2 and molecular weight 104.01 g/mol. IUPAC: 1H-pyrazole;hydrochloride.
Chemical Property Profile of 1H-Pyrazole, hydrochloride (1:1)
Property Insights of 1H-Pyrazole, hydrochloride (1:1)
The XLogP value of 0.8315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, hydrochloride (1:1). With a topological polar surface area (TPSA) of 28.7 Ų, 1H-Pyrazole, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole, hydrochloride (1:1) 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 1H-Pyrazole, hydrochloride (1:1)?
The CAS number of 1H-Pyrazole, hydrochloride (1:1) is 40642-27-1.
What is the molecular formula of 1H-Pyrazole, hydrochloride (1:1)?
The molecular formula of 1H-Pyrazole, hydrochloride (1:1) is C3H5ClN2.
What is the molecular weight of 1H-Pyrazole, hydrochloride (1:1)?
The molecular weight of 1H-Pyrazole, hydrochloride (1:1) is 104.01 g/mol.
Where can I buy 1H-Pyrazole, hydrochloride (1:1)?
You can request a quote for 1H-Pyrazole, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.