1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide

C26H23ClFN3O — CID 42755212

IUPAC1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc(-c2ccc(F)cc2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C26H23ClFN3O/c1-18(10-11-19-6-3-2-4-7-19)29-26(32)25-17-24(20-12-14-22(28)15-13-20)30-31(25)23-9-5-8-21(27)16-23/h2-9,12-18H,10-11H2,1H3,(H,29,32)
InChIKeyCSSILKSFILOUSO-UHFFFAOYSA-N
MW447.94 g/mol
LogP6.08
Rot. Bonds7

About 1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide

1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide (PubChem CID 42755212) has the molecular formula C26H23ClFN3O and a molecular weight of 447.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
PubChem CID42755212
Molecular FormulaC26H23ClFN3O
Molecular Weight447.94 g/mol
Exact Mass447.15
IUPAC Name1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc(-c2ccc(F)cc2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C26H23ClFN3O/c1-18(10-11-19-6-3-2-4-7-19)29-26(32)25-17-24(20-12-14-22(28)15-13-20)30-31(25)23-9-5-8-21(27)16-23/h2-9,12-18H,10-11H2,1H3,(H,29,32)
InChIKeyCSSILKSFILOUSO-UHFFFAOYSA-N
XLogP6.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.94
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 3945294
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42660564
N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 42754822
2-[[1-(3-chlorophenyl)-3-(4-fluorophenyl)pyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7231781
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46102836
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 7930702
3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4654374
1-(3-chlorophenyl)-3-(2-fluorophenyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 4006120
1-(3-chlorophenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 91871393
N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 5199691
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 1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide (CID 42755212) is 1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide is CC(CCc1ccccc1)NC(=O)c1cc(-c2ccc(F)cc2)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
The InChIKey is CSSILKSFILOUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O/c1-18(10-11-19-6-3-2-4-7-19)29-26(32)25-17-24(20-12-14-22(28)15-13-20)30-31(25)23-9-5-8-21(27)16-23/h2-9,12-18H,10-11H2,1H3,(H,29,32).
What are the key properties of 1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide has a molecular weight of 447.94 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 42755212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).