4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide

C14H15ClN4O3 — CID 131940972

IUPAC4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C14H15ClN4O3/c1-19-13(11(15)7-16-19)14(21)18-10-5-3-9(4-6-10)17-12(20)8-22-2/h3-7H,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOKFKGIXBJZDMED-UHFFFAOYSA-N
MW322.75 g/mol
LogP1.91
Rot. Bonds5

About 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 131940972) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID131940972
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C14H15ClN4O3/c1-19-13(11(15)7-16-19)14(21)18-10-5-3-9(4-6-10)17-12(20)8-22-2/h3-7H,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOKFKGIXBJZDMED-UHFFFAOYSA-N
XLogP1.91
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-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

ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 973643
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475994
4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
CID 19475780
4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 50981583
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
methyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)carbamothioylamino]benzoate
CID 1105438
4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
CID 19475965
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide
CID 131925440
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 2164180

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide (CID 131940972) is 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide is COCC(=O)Nc1ccc(NC(=O)c2c(Cl)cnn2C)cc1.
What is the InChIKey of 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is OKFKGIXBJZDMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c1-19-13(11(15)7-16-19)14(21)18-10-5-3-9(4-6-10)17-12(20)8-22-2/h3-7H,8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 322.75 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 131940972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).