N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide

C16H20FN3O — CID 93014221

IUPACN-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2cccc(F)c2)nn1CC
InChIInChI=1S/C16H20FN3O/c1-4-11(3)18-16(21)15-10-14(19-20(15)5-2)12-7-6-8-13(17)9-12/h6-11H,4-5H2,1-3H3,(H,18,21)/t11-/m0/s1
InChIKeyNUJPKEINXFCKPU-NSHDSACASA-N
MW289.35 g/mol
LogP3.24
Rot. Bonds5

About N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide

N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide (PubChem CID 93014221) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
PubChem CID93014221
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2cccc(F)c2)nn1CC
InChIInChI=1S/C16H20FN3O/c1-4-11(3)18-16(21)15-10-14(19-20(15)5-2)12-7-6-8-13(17)9-12/h6-11H,4-5H2,1-3H3,(H,18,21)/t11-/m0/s1
InChIKeyNUJPKEINXFCKPU-NSHDSACASA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 46105456
N-cyclohexyl-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 46105451
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 46705133
3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide
CID 122171294
1-ethyl-3-(3-fluorophenyl)pyrazol-5-amine
CID 61265903
N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 92895825
N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93008842
N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 71013623
1-ethyl-3-(4-fluorophenyl)-N-(trifluoromethyl)pyrazole-5-carboxamide
CID 174832324
N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 7431429

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide (CID 93014221) is N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide is CC[C@H](C)NC(=O)c1cc(-c2cccc(F)c2)nn1CC.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide?
The InChIKey is NUJPKEINXFCKPU-NSHDSACASA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-11(3)18-16(21)15-10-14(19-20(15)5-2)12-7-6-8-13(17)9-12/h6-11H,4-5H2,1-3H3,(H,18,21)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide?
N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 93014221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).