N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide

C32H28FN3O — CID 5199691

IUPACN-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C32H28FN3O/c1-23-9-8-14-28(21-23)36-31(22-30(35-36)26-15-17-27(33)18-16-26)32(37)34-20-19-29(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-18,21-22,29H,19-20H2,1H3,(H,34,37)
InChIKeyYBGWJQLSNWTERW-UHFFFAOYSA-N
MW489.59 g/mol
LogP6.94
Rot. Bonds8

About N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide

N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide (PubChem CID 5199691) has the molecular formula C32H28FN3O and a molecular weight of 489.59 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
PubChem CID5199691
Molecular FormulaC32H28FN3O
Molecular Weight489.59 g/mol
Exact Mass489.22
IUPAC NameN-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C32H28FN3O/c1-23-9-8-14-28(21-23)36-31(22-30(35-36)26-15-17-27(33)18-16-26)32(37)34-20-19-29(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-18,21-22,29H,19-20H2,1H3,(H,34,37)
InChIKeyYBGWJQLSNWTERW-UHFFFAOYSA-N
XLogP6.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.59
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
CID 7499258
3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 812159
N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42758503
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
N-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4010497
1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 3945294
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 3975682
2-[[1-(3-chlorophenyl)-3-(4-fluorophenyl)pyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7231781
3-(4-fluorophenyl)-N-(2-methoxyethyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 4558582
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758331
N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3928808
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42660564

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide (CID 5199691) is N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide is Cc1cccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NCCC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is YBGWJQLSNWTERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN3O/c1-23-9-8-14-28(21-23)36-31(22-30(35-36)26-15-17-27(33)18-16-26)32(37)34-20-19-29(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-18,21-22,29H,19-20H2,1H3,(H,34,37).
What are the key properties of N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 489.59 g/mol, XLogP of 6.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 5199691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).