1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide
TL;DR: 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide (CAS 514800-86-3) is a chemical compound with molecular formula C12H13N5O3 and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methylphenyl)methyl]-4-nitropyrazole-3-carbohydrazide
Also Known As: 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide, 1-[(4-methylphenyl)methyl]-4-nitropyrazole-3-carbohydrazide, 4-nitro-1-(4-methylbenzyl)-1H-pyrazole-3-carbohydrazide, 4-nitro-1-(p-tolylmethyl)pyrazole-3-carbohydrazide, 1-(4-methylphenyl)methyl-4-nitro-1H-pyrazole-3-carbohydrazide
| Molecular Formula | C12H13N5O3 |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | 0.75152 |
| Topological Polar Surface Area | 116.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.10184 |
| Heavy Atoms | 20 |
| Complexity | 647.6124 |
Chemical Identifiers
| CAS Number | 514800-86-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C=C(C(=N2)C(=O)NN)[N+](=O)[O-] |
Product Overview
1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide (CAS 514800-86-3), with molecular formula C12H13N5O3 and molecular weight 275.10 g/mol. IUPAC: 1-[(4-methylphenyl)methyl]-4-nitropyrazole-3-carbohydrazide.
Chemical Property Profile of 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide
Property Insights of 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide
The XLogP value of 0.75152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide. The TPSA of 116.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide. Following Lipinski's Rule of Five, 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide 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 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide?
The CAS number of 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide is 514800-86-3.
What is the molecular formula of 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide?
The molecular formula of 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide is C12H13N5O3.
What is the molecular weight of 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide?
The molecular weight of 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide is 275.10 g/mol.
Where can I buy 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide?
You can request a quote for 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.