N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide

C29H18ClFN4O — CID 53327838

IUPACN-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide
SMILESN#Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Cl)ccc1-c1ccc(F)cc1
InChIInChI=1S/C29H18ClFN4O/c30-25-8-4-5-9-27(25)35-28(17-26(34-35)20-6-2-1-3-7-20)33-29(36)21-12-15-24(22(16-21)18-32)19-10-13-23(31)14-11-19/h1-17H,(H,33,36)
InChIKeyYDSUZUAREGGIJT-UHFFFAOYSA-N
MW492.94 g/mol
LogP7.12
Rot. Bonds5

About N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide

N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide (PubChem CID 53327838) has the molecular formula C29H18ClFN4O and a molecular weight of 492.94 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide
PubChem CID53327838
Molecular FormulaC29H18ClFN4O
Molecular Weight492.94 g/mol
Exact Mass492.12
IUPAC NameN-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide
SMILESN#Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Cl)ccc1-c1ccc(F)cc1
InChIInChI=1S/C29H18ClFN4O/c30-25-8-4-5-9-27(25)35-28(17-26(34-35)20-6-2-1-3-7-20)33-29(36)21-12-15-24(22(16-21)18-32)19-10-13-23(31)14-11-19/h1-17H,(H,33,36)
InChIKeyYDSUZUAREGGIJT-UHFFFAOYSA-N
XLogP7.12
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.94
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide
CID 4298131
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
CID 46088012
3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide
CID 24864105
2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088054
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 42732968
N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
CID 11383259
3,5-dichloro-N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4648496
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[dimethylcarbamoyl(propyl)amino]acetamide
CID 42740918
N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
CID 42730554
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide
CID 42740898
[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate
CID 1061617

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide?
The IUPAC name of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide (CID 53327838) is N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide is N#Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Cl)ccc1-c1ccc(F)cc1.
What is the InChIKey of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide?
The InChIKey is YDSUZUAREGGIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18ClFN4O/c30-25-8-4-5-9-27(25)35-28(17-26(34-35)20-6-2-1-3-7-20)33-29(36)21-12-15-24(22(16-21)18-32)19-10-13-23(31)14-11-19/h1-17H,(H,33,36).
What are the key properties of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide?
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide has a molecular weight of 492.94 g/mol, XLogP of 7.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide is sourced from PubChem (CID 53327838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).