5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C16H19Cl2N3O — CID 26087171

IUPAC5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-9(2)8-21-15(18)14(11(4)20-21)16(22)19-12-6-5-10(3)13(17)7-12/h5-7,9H,8H2,1-4H3,(H,19,22)
InChIKeyRHKXKTTVYFZYRD-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.72
Rot. Bonds4

About 5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 26087171) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID26087171
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-9(2)8-21-15(18)14(11(4)20-21)16(22)19-12-6-5-10(3)13(17)7-12/h5-7,9H,8H2,1-4H3,(H,19,22)
InChIKeyRHKXKTTVYFZYRD-UHFFFAOYSA-N
XLogP4.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 27229200
propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate
CID 29211303
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444
1-benzyl-5-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 7957023
1-[(2S)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-(3-chloro-4-methylphenyl)pyrazole-3-carboxamide
CID 29097720
N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181317
5-chloro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 2556257
1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 9479377
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 7904217
(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3,4-difluorophenyl)prop-2-enamide
CID 26245113
[2-(4-acetamidophenyl)-2-oxoethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 7904346
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 26087171) is 5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is Cc1ccc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1Cl.
What is the InChIKey of 5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is RHKXKTTVYFZYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-9(2)8-21-15(18)14(11(4)20-21)16(22)19-12-6-5-10(3)13(17)7-12/h5-7,9H,8H2,1-4H3,(H,19,22).
What are the key properties of 5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 26087171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).