1H-pyrazole-1-carbonyl isocyanate
TL;DR: 1H-pyrazole-1-carbonyl isocyanate (CAS 112423-48-0) is a chemical compound with molecular formula C5H3N3O2 and molecular weight 137.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrazole-1-carbonyl isocyanate
Also Known As: pyrazole-1-carbonyl isocyanate, 1H-pyrazole-1-carbonyl isocyanate, 1-Pyrazolcarbonylisocyanat, 1h-pyrazole-1-carbonylisocyanate, 1H-Pyrazole-1-carbonylisocyanate(9CI)
| Molecular Formula | C5H3N3O2 |
|---|---|
| Molecular Weight | 137.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.02252 |
| Heavy Atoms | 10 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 112423-48-0 |
|---|---|
| SMILES | C1=CN(N=C1)C(=O)N=C=O |
| InChIKey | FDGWMQLFXILENY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-pyrazole-1-carbonyl isocyanate (CAS 112423-48-0), with molecular formula C5H3N3O2 and molecular weight 137.02 g/mol. IUPAC: pyrazole-1-carbonyl isocyanate.
Chemical Property Profile of 1H-pyrazole-1-carbonyl isocyanate
Property Insights of 1H-pyrazole-1-carbonyl isocyanate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-pyrazole-1-carbonyl isocyanate. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-pyrazole-1-carbonyl isocyanate. Following Lipinski's Rule of Five, 1H-pyrazole-1-carbonyl isocyanate has 0 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 1H-pyrazole-1-carbonyl isocyanate?
The CAS number of 1H-pyrazole-1-carbonyl isocyanate is 112423-48-0.
What is the molecular formula of 1H-pyrazole-1-carbonyl isocyanate?
The molecular formula of 1H-pyrazole-1-carbonyl isocyanate is C5H3N3O2.
What is the molecular weight of 1H-pyrazole-1-carbonyl isocyanate?
The molecular weight of 1H-pyrazole-1-carbonyl isocyanate is 137.02 g/mol.
Where can I buy 1H-pyrazole-1-carbonyl isocyanate?
You can request a quote for 1H-pyrazole-1-carbonyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-pyrazole-1-carbonyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 1H-pyrazole-1-carbonyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.