1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid
TL;DR: 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid (CAS 444010-34-8) is a chemical compound with molecular formula C14H17N3O4 and molecular weight 291.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-4-nitropyrazole-3-carboxylic acid
Also Known As: 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid, 1-(Adamantan-1-yl)-4-nitro-1h-pyrazole-3-carboxylic acid, 1-adamantanyl-4-nitropyrazole-3-carboxylic acid, 1-(1-adamantyl)-4-nitropyrazole-3-carboxylic acid, 1-(1-adamantyl)-3-carboxy-4-nitropyrazole
| Molecular Formula | C14H17N3O4 |
|---|---|
| Molecular Weight | 291.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.12192 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 444010-34-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)O)[N+](=O)[O-] |
| InChIKey | KSPSQGXCQMJFKD-UHFFFAOYSA-N |
Product Overview
1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid (CAS 444010-34-8), with molecular formula C14H17N3O4 and molecular weight 291.12 g/mol. IUPAC: 1-(1-adamantyl)-4-nitropyrazole-3-carboxylic acid.
Chemical Property Profile of 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid
Property Insights of 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid 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 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid?
The CAS number of 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid is 444010-34-8.
What is the molecular formula of 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid?
The molecular formula of 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid is C14H17N3O4.
What is the molecular weight of 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid?
The molecular weight of 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid is 291.12 g/mol.
Where can I buy 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid?
You can request a quote for 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.