N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide

C26H28F3N3O — CID 167221493

IUPACN-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2cc(C3CC3)ccc2C(F)(F)F)cnn1CCCc1ccccc1
InChIInChI=1S/C26H28F3N3O/c1-17(2)24-21(16-30-32(24)14-6-9-18-7-4-3-5-8-18)25(33)31-23-15-20(19-10-11-19)12-13-22(23)26(27,28)29/h3-5,7-8,12-13,15-17,19H,6,9-11,14H2,1-2H3,(H,31,33)
InChIKeyZXPRYIKRHCIJJC-UHFFFAOYSA-N
MW455.52 g/mol
LogP6.79
Rot. Bonds8

About N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide

N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 167221493) has the molecular formula C26H28F3N3O and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID167221493
Molecular FormulaC26H28F3N3O
Molecular Weight455.52 g/mol
Exact Mass455.22
IUPAC NameN-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2cc(C3CC3)ccc2C(F)(F)F)cnn1CCCc1ccccc1
InChIInChI=1S/C26H28F3N3O/c1-17(2)24-21(16-30-32(24)14-6-9-18-7-4-3-5-8-18)25(33)31-23-15-20(19-10-11-19)12-13-22(23)26(27,28)29/h3-5,7-8,12-13,15-17,19H,6,9-11,14H2,1-2H3,(H,31,33)
InChIKeyZXPRYIKRHCIJJC-UHFFFAOYSA-N
XLogP6.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[3-[[2-(2-methylpropyl)-1-(3-phenylpropyl)pyrrole-3-carbonyl]amino]-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 175195192
cis-(1R,2S)-2-[3-[[2,6-dimethyl-4-(3-phenylpropyl)benzoyl]amino]-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 155451853
2-[3-[[1-[(1S)-1-cyclopropylethyl]-5-(3-phenylpropyl)pyrrole-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]acetic acid
CID 164549825
2-[5-[[1-[2-(3,5-difluorophenoxy)ethyl]-5-propan-2-ylpyrazole-4-carbonyl]amino]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-(trifluoromethyl)phenyl]acetic acid
CID 164549712
2-[5-[[1-[2-(2,4-difluorophenoxy)ethyl]-5-propan-2-ylpyrazole-4-carbonyl]amino]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-(trifluoromethyl)phenyl]acetic acid
CID 167133125
1-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19496083
N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide
CID 175747505
methyl 2-[5-[[1-[2-(2-chloro-3,5-difluorophenoxy)ethyl]-5-propan-2-ylpyrazole-4-carbonyl]amino]-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-(trifluoromethyl)phenyl]acetate
CID 164549704
1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42818321
(5R,7R)-5-phenyl-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1126936
5-chloro-1-(3-phenylpropyl)pyrazole-4-carboxylic acid
CID 113373689
N-[5-(2-amino-2-oxoethyl)-2-(trifluoromethyl)phenyl]-5-(3-phenylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 164549853

Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 167221493) is N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2cc(C3CC3)ccc2C(F)(F)F)cnn1CCCc1ccccc1.
What is the InChIKey of N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is ZXPRYIKRHCIJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O/c1-17(2)24-21(16-30-32(24)14-6-9-18-7-4-3-5-8-18)25(33)31-23-15-20(19-10-11-19)12-13-22(23)26(27,28)29/h3-5,7-8,12-13,15-17,19H,6,9-11,14H2,1-2H3,(H,31,33).
What are the key properties of N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 6.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 167221493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).