1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

C20H21ClN4O — CID 2808095

IUPAC1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NCCc2ccccn2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O/c1-2-5-19-18(14-24-25(19)17-9-7-15(21)8-10-17)20(26)23-13-11-16-6-3-4-12-22-16/h3-4,6-10,12,14H,2,5,11,13H2,1H3,(H,23,26)
InChIKeyUSHXMPIXFKFGPN-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.85
Rot. Bonds7

About 1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 2808095) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID2808095
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NCCc2ccccn2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O/c1-2-5-19-18(14-24-25(19)17-9-7-15(21)8-10-17)20(26)23-13-11-16-6-3-4-12-22-16/h3-4,6-10,12,14H,2,5,11,13H2,1H3,(H,23,26)
InChIKeyUSHXMPIXFKFGPN-UHFFFAOYSA-N
XLogP3.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 2808095) is 1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is CCCc1c(C(=O)NCCc2ccccn2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is USHXMPIXFKFGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-2-5-19-18(14-24-25(19)17-9-7-15(21)8-10-17)20(26)23-13-11-16-6-3-4-12-22-16/h3-4,6-10,12,14H,2,5,11,13H2,1H3,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-propyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2808095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).