1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)-
TL;DR: 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)- (CAS 75876-12-9) is a chemical compound with molecular formula C14H18N4O2 and molecular weight 274.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]butan-1-amine
Also Known As: 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)-, N-methyl-4-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]butan-1-amine
| Molecular Formula | C14H18N4O2 |
|---|---|
| Molecular Weight | 274.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 86.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.14297 |
| Heavy Atoms | 20 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 75876-12-9 |
|---|---|
| SMILES | CNCCCCC1=CC(=NN1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | FWNUGADCDQJCRV-UHFFFAOYSA-N |
Product Overview
1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)- (CAS 75876-12-9), with molecular formula C14H18N4O2 and molecular weight 274.14 g/mol. IUPAC: N-methyl-4-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]butan-1-amine.
Chemical Property Profile of 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)-
Property Insights of 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)-. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)- has 2 hydrogen bond donor(s) and 4 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 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)-?
The CAS number of 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)- is 75876-12-9.
What is the molecular formula of 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)-?
The molecular formula of 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)- is C14H18N4O2.
What is the molecular weight of 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)-?
The molecular weight of 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)- is 274.14 g/mol.
Where can I buy 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)-?
You can request a quote for 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-3-butanamine, N-methyl-5-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.