5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide

C13H14ClN3O2 — CID 47137680

IUPAC5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C13H14ClN3O2/c1-8-11(12(14)17(2)16-8)13(18)15-9-4-6-10(19-3)7-5-9/h4-7H,1-3H3,(H,15,18)
InChIKeyPJRFQKYPAHUSOW-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.64
Rot. Bonds3

About 5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide

5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 47137680) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID47137680
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C13H14ClN3O2/c1-8-11(12(14)17(2)16-8)13(18)15-9-4-6-10(19-3)7-5-9/h4-7H,1-3H3,(H,15,18)
InChIKeyPJRFQKYPAHUSOW-UHFFFAOYSA-N
XLogP2.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-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

Related Compounds

5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279909
5-chloro-N-[(1R)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 40567652
5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 33254001
5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279655
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 47137762
5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 47143740
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
N-(4-methoxyphenyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9042194
2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 4862032
2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide
CID 1477196

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 47137680) is 5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2c(C)nn(C)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is PJRFQKYPAHUSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-11(12(14)17(2)16-8)13(18)15-9-4-6-10(19-3)7-5-9/h4-7H,1-3H3,(H,15,18).
What are the key properties of 5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 47137680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).