N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide (CAS 515830-01-0) is a chemical compound with molecular formula C12H10N4O5 and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-5-carboxamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-5-carboxamide
| Molecular Formula | C12H10N4O5 |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 0.9766 |
| Topological Polar Surface Area | 119.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.06512 |
| Heavy Atoms | 21 |
| Complexity | 711.4234 |
Chemical Identifiers
| CAS Number | 515830-01-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=NN3)[N+](=O)[O-] |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide (CAS 515830-01-0), with molecular formula C12H10N4O5 and molecular weight 290.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-5-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide
The XLogP value of 0.9766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide. The TPSA of 119.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide has 2 hydrogen bond donor(s) and 6 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 N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide is 515830-01-0.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide is C12H10N4O5.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide is 290.07 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.