1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H15ClF3N5O — CID 91014233

IUPAC1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)n(C)c2c1
InChIInChI=1S/C20H15ClF3N5O/c1-11-3-8-15-16(9-11)28(2)19(26-15)27-18(30)14-10-25-29(17(14)20(22,23)24)13-6-4-12(21)5-7-13/h3-10H,1-2H3,(H,26,27,30)
InChIKeyULGZASMQMMEURK-UHFFFAOYSA-N
MW433.82 g/mol
LogP4.99
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 91014233) has the molecular formula C20H15ClF3N5O and a molecular weight of 433.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID91014233
Molecular FormulaC20H15ClF3N5O
Molecular Weight433.82 g/mol
Exact Mass433.09
IUPAC Name1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)n(C)c2c1
InChIInChI=1S/C20H15ClF3N5O/c1-11-3-8-15-16(9-11)28(2)19(26-15)27-18(30)14-10-25-29(17(14)20(22,23)24)13-6-4-12(21)5-7-13/h3-10H,1-2H3,(H,26,27,30)
InChIKeyULGZASMQMMEURK-UHFFFAOYSA-N
XLogP4.99
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.82
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-4-methylphenyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55463902
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate
CID 87445596
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
1-(4-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91039946
methyl N-[4-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]carbamate
CID 55804670
1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112807606
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
1-(4-chlorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46669190
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
[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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 91014233) is 1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccc2nc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)n(C)c2c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ULGZASMQMMEURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5O/c1-11-3-8-15-16(9-11)28(2)19(26-15)27-18(30)14-10-25-29(17(14)20(22,23)24)13-6-4-12(21)5-7-13/h3-10H,1-2H3,(H,26,27,30).
What are the key properties of 1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 433.82 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 91014233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).