2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide

C21H17ClF3N3O — CID 19346838

IUPAC2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClF3N3O/c22-16-6-4-14(5-7-16)18-9-19(18)20(29)27-17-10-26-28(12-17)11-13-2-1-3-15(8-13)21(23,24)25/h1-8,10,12,18-19H,9,11H2,(H,27,29)
InChIKeyLAQVCFARXVZNGF-UHFFFAOYSA-N
MW419.83 g/mol
LogP5.35
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide

2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 19346838) has the molecular formula C21H17ClF3N3O and a molecular weight of 419.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
PubChem CID19346838
Molecular FormulaC21H17ClF3N3O
Molecular Weight419.83 g/mol
Exact Mass419.10
IUPAC Name2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClF3N3O/c22-16-6-4-14(5-7-16)18-9-19(18)20(29)27-17-10-26-28(12-17)11-13-2-1-3-15(8-13)21(23,24)25/h1-8,10,12,18-19H,9,11H2,(H,27,29)
InChIKeyLAQVCFARXVZNGF-UHFFFAOYSA-N
XLogP5.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.83
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 56725314
2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19395537
4-chloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346964
2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19401715
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19447776
2,4-dichloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346965
2,2,2-trifluoro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19346859
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19447957
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 19410558
2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19346927
2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19340322
5-(4-chlorophenyl)-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19346955

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide (CID 19346838) is 2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide is O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The InChIKey is LAQVCFARXVZNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N3O/c22-16-6-4-14(5-7-16)18-9-19(18)20(29)27-17-10-26-28(12-17)11-13-2-1-3-15(8-13)21(23,24)25/h1-8,10,12,18-19H,9,11H2,(H,27,29).
What are the key properties of 2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 419.83 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 19346838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).