5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide

C20H19ClN4O2 — CID 17429031

IUPAC5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O2/c1-12-4-3-5-13(2)18(12)24-17(26)11-22-20(27)16-10-23-25-19(16)14-6-8-15(21)9-7-14/h3-10H,11H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyVBBGJPJQQGTTFE-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.72
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide (PubChem CID 17429031) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
PubChem CID17429031
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O2/c1-12-4-3-5-13(2)18(12)24-17(26)11-22-20(27)16-10-23-25-19(16)14-6-8-15(21)9-7-14/h3-10H,11H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyVBBGJPJQQGTTFE-UHFFFAOYSA-N
XLogP3.72
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 17438304
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 18136016
methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 56548711
N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824412
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-nitrobenzamide
CID 112794669
5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide
CID 18138371
N-[4-(4-chloroanilino)-4-oxobutyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55944958
5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide
CID 30544747
methyl 6-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]hexanoate
CID 29493001
5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide
CID 166247364

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide (CID 17429031) is 5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is VBBGJPJQQGTTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-4-3-5-13(2)18(12)24-17(26)11-22-20(27)16-10-23-25-19(16)14-6-8-15(21)9-7-14/h3-10H,11H2,1-2H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 17429031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).