N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide

C31H26FN3O2 — CID 4273385

IUPACN-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NC(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H26FN3O2/c1-37-27-18-16-26(17-19-27)35-30(21-29(34-35)24-12-14-25(32)15-13-24)31(36)33-28(23-10-6-3-7-11-23)20-22-8-4-2-5-9-22/h2-19,21,28H,20H2,1H3,(H,33,36)
InChIKeyBOPZUIZPDACIQB-UHFFFAOYSA-N
MW491.57 g/mol
LogP6.40
Rot. Bonds8

About N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide

N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide (PubChem CID 4273385) has the molecular formula C31H26FN3O2 and a molecular weight of 491.57 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
PubChem CID4273385
Molecular FormulaC31H26FN3O2
Molecular Weight491.57 g/mol
Exact Mass491.20
IUPAC NameN-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NC(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H26FN3O2/c1-37-27-18-16-26(17-19-27)35-30(21-29(34-35)24-12-14-25(32)15-13-24)31(36)33-28(23-10-6-3-7-11-23)20-22-8-4-2-5-9-22/h2-19,21,28H,20H2,1H3,(H,33,36)
InChIKeyBOPZUIZPDACIQB-UHFFFAOYSA-N
XLogP6.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.57
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide
CID 4693927
1-(3,4-dichlorophenyl)-N-[(1S)-1,2-diphenylethyl]-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 98425704
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4563606
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3940824
3-(3,4-dimethylphenyl)-N-(1,2-diphenylethyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3946638
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 4027590
N-benzyl-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3885248
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754604
1-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 91872022
3-(2-fluorophenyl)-1-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42754820

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide (CID 4273385) is N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide is COc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NC(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is BOPZUIZPDACIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN3O2/c1-37-27-18-16-26(17-19-27)35-30(21-29(34-35)24-12-14-25(32)15-13-24)31(36)33-28(23-10-6-3-7-11-23)20-22-8-4-2-5-9-22/h2-19,21,28H,20H2,1H3,(H,33,36).
What are the key properties of N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide?
N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4273385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).