3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide
TL;DR: 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide (CAS 514800-74-9) is a chemical compound with molecular formula C11H11N5O3 and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-nitropyrazole-5-carbohydrazide
Also Known As: 1-benzyl-3-nitro-1H-pyrazole-5-carbohydrazide, 2-benzyl-5-nitropyrazole-3-carbohydrazide, 3-nitro-1-benzylpyrazole-5-carbohydrazide, 2-benzyl-5-nitro-pyrazole-3-carbohydrazide, 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide
| Molecular Formula | C11H11N5O3 |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 0.4431 |
| Topological Polar Surface Area | 116.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.08618 |
| Heavy Atoms | 19 |
| Complexity | 608.04816 |
Chemical Identifiers
| CAS Number | 514800-74-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)NN |
Product Overview
3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide (CAS 514800-74-9), with molecular formula C11H11N5O3 and molecular weight 261.09 g/mol. IUPAC: 1-benzyl-3-nitropyrazole-5-carbohydrazide.
Chemical Property Profile of 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide
Property Insights of 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide
The XLogP value of 0.4431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide. The TPSA of 116.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide. Following Lipinski's Rule of Five, 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide has 2 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-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide?
The CAS number of 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide is 514800-74-9.
What is the molecular formula of 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide?
The molecular formula of 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide is C11H11N5O3.
What is the molecular weight of 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide?
The molecular weight of 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide is 261.09 g/mol.
Where can I buy 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide?
You can request a quote for 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-1-(phenylmethyl)-1H-pyrazole-5-carboxylic acid hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.