4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide

C16H18Cl2N4O2 — CID 19342029

IUPAC4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)cnn1C
InChIInChI=1S/C16H18Cl2N4O2/c1-9(2)7-19-16(24)14-13(8-20-22(14)3)21-15(23)11-5-4-10(17)6-12(11)18/h4-6,8-9H,7H2,1-3H3,(H,19,24)(H,21,23)
InChIKeyHJEAPCMTPLJLMM-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.37
Rot. Bonds5

About 4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide

4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 19342029) has the molecular formula C16H18Cl2N4O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is 4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID19342029
Molecular FormulaC16H18Cl2N4O2
Molecular Weight369.25 g/mol
Exact Mass368.08
IUPAC Name4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)cnn1C
InChIInChI=1S/C16H18Cl2N4O2/c1-9(2)7-19-16(24)14-13(8-20-22(14)3)21-15(23)11-5-4-10(17)6-12(11)18/h4-6,8-9H,7H2,1-3H3,(H,19,24)(H,21,23)
InChIKeyHJEAPCMTPLJLMM-UHFFFAOYSA-N
XLogP3.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide
CID 19341993
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341922
4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341835
4-(2-ethylbutanoylamino)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341757
4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341823
1-methyl-4-[(2-methyl-3-nitrobenzoyl)amino]-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341766
4-[(2,4-dichlorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496071
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341944
4-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 17024099
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19282119
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396247

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (CID 19342029) is 4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)CNC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)cnn1C.
What is the InChIKey of 4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is HJEAPCMTPLJLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2/c1-9(2)7-19-16(24)14-13(8-20-22(14)3)21-15(23)11-5-4-10(17)6-12(11)18/h4-6,8-9H,7H2,1-3H3,(H,19,24)(H,21,23).
What are the key properties of 4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 369.25 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19342029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).