N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H14ClF4N3O — CID 112813721

IUPACN-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C19H14ClF4N3O/c1-26(11-12-6-2-3-7-14(12)20)18(28)13-10-25-27(17(13)19(22,23)24)16-9-5-4-8-15(16)21/h2-10H,11H2,1H3
InChIKeyHWRPOHPJEXHMFF-UHFFFAOYSA-N
MW411.79 g/mol
LogP4.96
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 112813721) has the molecular formula C19H14ClF4N3O and a molecular weight of 411.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID112813721
Molecular FormulaC19H14ClF4N3O
Molecular Weight411.79 g/mol
Exact Mass411.08
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C19H14ClF4N3O/c1-26(11-12-6-2-3-7-14(12)20)18(28)13-10-25-27(17(13)19(22,23)24)16-9-5-4-8-15(16)21/h2-10H,11H2,1H3
InChIKeyHWRPOHPJEXHMFF-UHFFFAOYSA-N
XLogP4.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.79
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813931
1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 134047410
2-[[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119358426
N-(3-amino-4-methylpentyl)-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119661216
1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 134026351
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43049895
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822481
1-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813879
1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 141317711
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81226236
N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112817204
1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 82527528

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 112813721) is N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CN(Cc1ccccc1Cl)C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is HWRPOHPJEXHMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF4N3O/c1-26(11-12-6-2-3-7-14(12)20)18(28)13-10-25-27(17(13)19(22,23)24)16-9-5-4-8-15(16)21/h2-10H,11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 411.79 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112813721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).