1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C16H17F4N3O — CID 95287399

IUPAC1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)N[C@@H](C)Cc2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C16H17F4N3O/c1-3-23-14(16(18,19)20)12(9-21-23)15(24)22-10(2)8-11-6-4-5-7-13(11)17/h4-7,9-10H,3,8H2,1-2H3,(H,22,24)/t10-/m0/s1
InChIKeyHERFCCLSYVINNJ-JTQLQIEISA-N
MW343.32 g/mol
LogP3.42
Rot. Bonds5

About 1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 95287399) has the molecular formula C16H17F4N3O and a molecular weight of 343.32 g/mol. Its IUPAC name is 1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID95287399
Molecular FormulaC16H17F4N3O
Molecular Weight343.32 g/mol
Exact Mass343.13
IUPAC Name1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)N[C@@H](C)Cc2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C16H17F4N3O/c1-3-23-14(16(18,19)20)12(9-21-23)15(24)22-10(2)8-11-6-4-5-7-13(11)17/h4-7,9-10H,3,8H2,1-2H3,(H,22,24)/t10-/m0/s1
InChIKeyHERFCCLSYVINNJ-JTQLQIEISA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95286945
N-[1-(2-fluorophenyl)propan-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 86830130
N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55859853
N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95595685
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide
CID 47367907
1-ethyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86896503
1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146123353
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide
CID 94474380
1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea
CID 97087860
1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 111482668
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 95287399) is 1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CCn1ncc(C(=O)N[C@@H](C)Cc2ccccc2F)c1C(F)(F)F.
What is the InChIKey of 1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is HERFCCLSYVINNJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17F4N3O/c1-3-23-14(16(18,19)20)12(9-21-23)15(24)22-10(2)8-11-6-4-5-7-13(11)17/h4-7,9-10H,3,8H2,1-2H3,(H,22,24)/t10-/m0/s1.
What are the key properties of 1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 343.32 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 95287399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).