1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide

C24H28ClN3O — CID 24517487

IUPAC1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide
SMILESCCCCn1nc(C)c(C(=O)NCC(C)(c2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C24H28ClN3O/c1-4-5-16-28-22(25)21(18(2)27-28)23(29)26-17-24(3,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15H,4-5,16-17H2,1-3H3,(H,26,29)
InChIKeyKTOVWPQWJDKZJF-UHFFFAOYSA-N
MW409.96 g/mol
LogP5.38
Rot. Bonds8

About 1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide

1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide (PubChem CID 24517487) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide
PubChem CID24517487
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide
SMILESCCCCn1nc(C)c(C(=O)NCC(C)(c2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C24H28ClN3O/c1-4-5-16-28-22(25)21(18(2)27-28)23(29)26-17-24(3,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15H,4-5,16-17H2,1-3H3,(H,26,29)
InChIKeyKTOVWPQWJDKZJF-UHFFFAOYSA-N
XLogP5.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 9209718
1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide
CID 9038891
1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 9479377
5-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 111446420
1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 9071947
1-butyl-5-chloro-N-(3-ethynylphenyl)-3-methylpyrazole-4-carboxamide
CID 24632299
N-(3-benzyl-4-methoxyphenyl)-1-butyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 24571197
1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide
CID 78803331
1-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 78800646
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 8986946
1-benzyl-5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylpyrazole-4-carboxamide
CID 30480679
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477748

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide (CID 24517487) is 1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide is CCCCn1nc(C)c(C(=O)NCC(C)(c2ccccc2)c2ccccc2)c1Cl.
What is the InChIKey of 1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is KTOVWPQWJDKZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c1-4-5-16-28-22(25)21(18(2)27-28)23(29)26-17-24(3,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15H,4-5,16-17H2,1-3H3,(H,26,29).
What are the key properties of 1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide?
1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 409.96 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 24517487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).