4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide

C13H14ClN3O2 — CID 1223840

IUPAC4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Cl)cnn2C)c(C)c1
InChIInChI=1S/C13H14ClN3O2/c1-8-6-9(19-3)4-5-11(8)16-13(18)12-10(14)7-15-17(12)2/h4-7H,1-3H3,(H,16,18)
InChIKeyVQDQCSYZVXCRLP-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.64
Rot. Bonds3

About 4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide

4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 1223840) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID1223840
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Cl)cnn2C)c(C)c1
InChIInChI=1S/C13H14ClN3O2/c1-8-6-9(19-3)4-5-11(8)16-13(18)12-10(14)7-15-17(12)2/h4-7H,1-3H3,(H,16,18)
InChIKeyVQDQCSYZVXCRLP-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 4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-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-[2-(4-methoxyanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4293116
4-chloro-2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide
CID 6469392
4-chloro-2-ethyl-N-(2-methoxy-5-nitrophenyl)pyrazole-3-carboxamide
CID 831843
4-Chloro-N-(3,4-dimethoxyphenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 1511740
N-(3-{N-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-phenoxyacetamide
CID 9622208
4-Amino-2-methyl-2H-pyrazole-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 913152
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide
CID 6466041
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 891955
(4-Chloro-2-methylpyrazol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6469727
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 47084046
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 708262
US10023559, Example 22
CID 118903534

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide (CID 1223840) is 4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide is COc1ccc(NC(=O)c2c(Cl)cnn2C)c(C)c1.
What is the InChIKey of 4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is VQDQCSYZVXCRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-6-9(19-3)4-5-11(8)16-13(18)12-10(14)7-15-17(12)2/h4-7H,1-3H3,(H,16,18).
What are the key properties of 4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide?
4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-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 4-chloro-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 1223840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).