N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H20F3N3O — CID 94822209

IUPACN-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)NC[C@H](C)c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H20F3N3O/c1-11(2)23-15(17(18,19)20)14(10-22-23)16(24)21-9-12(3)13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3,(H,21,24)/t12-/m0/s1
InChIKeyGBFPPPQCSCDZJN-LBPRGKRZSA-N
MW339.36 g/mol
LogP4.02
Rot. Bonds5

About N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 94822209) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID94822209
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC NameN-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)NC[C@H](C)c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H20F3N3O/c1-11(2)23-15(17(18,19)20)14(10-22-23)16(24)21-9-12(3)13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3,(H,21,24)/t12-/m0/s1
InChIKeyGBFPPPQCSCDZJN-LBPRGKRZSA-N
XLogP4.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-5-(trifluoromethyl)-N-[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
CID 52833776
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95159617
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51131057
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95321875
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86898093
2-methyl-3-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119236703
2-(ethylamino)-N-(2-phenylpropyl)benzamide
CID 63107799
4-fluoro-2-hydroxy-N-(2-phenylpropyl)benzamide
CID 103829491
3-hydrazinyl-N-(2-phenylpropyl)pyridine-4-carboxamide
CID 105072451
2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525159
7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919274

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 94822209) is N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)n1ncc(C(=O)NC[C@H](C)c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is GBFPPPQCSCDZJN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-11(2)23-15(17(18,19)20)14(10-22-23)16(24)21-9-12(3)13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3,(H,21,24)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 94822209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).