5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

C17H15ClN4O — CID 110336244

IUPAC5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccncc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O/c1-22-16(13-2-4-14(18)5-3-13)10-15(21-22)17(23)20-11-12-6-8-19-9-7-12/h2-10H,11H2,1H3,(H,20,23)
InChIKeyDAOZGXXQKOPSFT-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.07
Rot. Bonds4

About 5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 110336244) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID110336244
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccncc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O/c1-22-16(13-2-4-14(18)5-3-13)10-15(21-22)17(23)20-11-12-6-8-19-9-7-12/h2-10H,11H2,1H3,(H,20,23)
InChIKeyDAOZGXXQKOPSFT-UHFFFAOYSA-N
XLogP3.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 110336837
1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555219
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233
5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336452
1-(4-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372973
5-(3,4-difluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42879103
5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 46105017
5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 110336255
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
CID 42785570
1-(chloromethyl)-3-[[4-[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]phenyl]methyl]urea
CID 142009030
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110373019

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (CID 110336244) is 5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NCc2ccncc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is DAOZGXXQKOPSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-22-16(13-2-4-14(18)5-3-13)10-15(21-22)17(23)20-11-12-6-8-19-9-7-12/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of 5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110336244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).