N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C24H15ClF3N5O — CID 175048664

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C24H15ClF3N5O/c25-14-9-11-15(12-10-14)33-21(24(26,27)28)17(13-29-33)23(34)32-18-6-2-1-5-16(18)22-30-19-7-3-4-8-20(19)31-22/h1-13H,(H,30,31)(H,32,34)
InChIKeyXQIRGMWWXWSDPY-UHFFFAOYSA-N
MW481.87 g/mol
LogP6.34
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 175048664) has the molecular formula C24H15ClF3N5O and a molecular weight of 481.87 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID175048664
Molecular FormulaC24H15ClF3N5O
Molecular Weight481.87 g/mol
Exact Mass481.09
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C24H15ClF3N5O/c25-14-9-11-15(12-10-14)33-21(24(26,27)28)17(13-29-33)23(34)32-18-6-2-1-5-16(18)22-30-19-7-3-4-8-20(19)31-22/h1-13H,(H,30,31)(H,32,34)
InChIKeyXQIRGMWWXWSDPY-UHFFFAOYSA-N
XLogP6.34
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.87
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175047452
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579150
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
1-(4-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91039946
1-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90928285
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
[3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]boronic acid
CID 58866199
1-(4-chlorophenyl)-N'-(2-methylbenzoyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 55454920
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91135448
N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24594336
N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 175048664) is N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is XQIRGMWWXWSDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF3N5O/c25-14-9-11-15(12-10-14)33-21(24(26,27)28)17(13-29-33)23(34)32-18-6-2-1-5-16(18)22-30-19-7-3-4-8-20(19)31-22/h1-13H,(H,30,31)(H,32,34).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 481.87 g/mol, XLogP of 6.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 175048664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).