N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid
TL;DR: N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid (CAS 59075-24-0) is a chemical compound with molecular formula C20H21Cl2N3O and molecular weight 389.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-4,5-bis(4-chlorophenyl)-3,4-dihydropyrazole-2-carboxamide
Also Known As: 1-(n-Butylcarbamoyl)-3,4-bis(4-chlorophenyl)-2-pyrazoline, N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide, 1H-Pyrazole-1-carboxamide, 4,5-dihydro-N-butyl-3,4-bis(4-chlorophenyl)-, N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid, N-butyl-4,5-bis(4-chlorophenyl)-3,4-dihydropyrazole-2-carboxamide
| Molecular Formula | C20H21Cl2N3O |
|---|---|
| Molecular Weight | 389.11 g/mol |
| LogP | 5.3066 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.10617 |
| Heavy Atoms | 26 |
| Complexity | 787.7085 |
Chemical Identifiers
| CAS Number | 59075-24-0 |
|---|---|
| SMILES | CCCCNC(=O)N1CC(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl |
Product Overview
N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid (CAS 59075-24-0), with molecular formula C20H21Cl2N3O and molecular weight 389.11 g/mol. IUPAC: N-butyl-4,5-bis(4-chlorophenyl)-3,4-dihydropyrazole-2-carboxamide.
Chemical Property Profile of N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid
Property Insights of N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid
The XLogP value of 5.3066 indicates that N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid?
The CAS number of N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid is 59075-24-0.
What is the molecular formula of N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid?
The molecular formula of N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid is C20H21Cl2N3O.
What is the molecular weight of N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid?
The molecular weight of N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid is 389.11 g/mol.
Where can I buy N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid?
You can request a quote for N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.