3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate
TL;DR: 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate (CAS 5327-45-7) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate
Also Known As: 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate, AB00079511-01
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 1.5208 |
| Topological Polar Surface Area | 98.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 385.86075 |
Chemical Identifiers
| CAS Number | 5327-45-7 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=C(NN=C1)[N+](=O)[O-] |
Product Overview
3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate (CAS 5327-45-7), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate.
Chemical Property Profile of 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate
Property Insights of 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate
The XLogP value of 1.5208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate. The TPSA of 98.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate has 1 hydrogen bond donor(s) and 5 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-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate?
The CAS number of 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate is 5327-45-7.
What is the molecular formula of 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate?
The molecular formula of 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate is C9H13N3O4.
What is the molecular weight of 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate?
The molecular weight of 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate is 227.09 g/mol.
Where can I buy 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate?
You can request a quote for 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.