N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide

C21H22F3N3O — CID 143778916

IUPACN-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide
SMILESCCCN1N=C(C(=O)Nc2ccccc2C)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O/c1-3-11-27-19(15-8-6-9-16(12-15)21(22,23)24)13-18(26-27)20(28)25-17-10-5-4-7-14(17)2/h4-10,12,19H,3,11,13H2,1-2H3,(H,25,28)
InChIKeyIETGYCFYPHCEAS-UHFFFAOYSA-N
MW389.42 g/mol
LogP5.17
Rot. Bonds5

About N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide

N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide (PubChem CID 143778916) has the molecular formula C21H22F3N3O and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide
PubChem CID143778916
Molecular FormulaC21H22F3N3O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC NameN-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide
SMILESCCCN1N=C(C(=O)Nc2ccccc2C)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O/c1-3-11-27-19(15-8-6-9-16(12-15)21(22,23)24)13-18(26-27)20(28)25-17-10-5-4-7-14(17)2/h4-10,12,19H,3,11,13H2,1-2H3,(H,25,28)
InChIKeyIETGYCFYPHCEAS-UHFFFAOYSA-N
XLogP5.17
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-2-pentyl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrazole-5-carboxamide
CID 25230599
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241688
N-(2-ethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4101158
1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 139011634
(6R)-3,4-dimethyl-N-(2-methylphenyl)-2-sulfanylidene-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxamide
CID 11922933
N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131
1-(2-methylphenyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553780
6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 53157447
N-(2-methylphenyl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 24678170
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide (CID 143778916) is N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide is CCCN1N=C(C(=O)Nc2ccccc2C)CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is IETGYCFYPHCEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O/c1-3-11-27-19(15-8-6-9-16(12-15)21(22,23)24)13-18(26-27)20(28)25-17-10-5-4-7-14(17)2/h4-10,12,19H,3,11,13H2,1-2H3,(H,25,28).
What are the key properties of N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide?
N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 143778916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).