5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide

C16H20FN3O — CID 42818350

IUPAC5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)C)c(C)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O/c1-5-14-15(16(21)18-10(2)3)11(4)19-20(14)13-8-6-12(17)7-9-13/h6-10H,5H2,1-4H3,(H,18,21)
InChIKeyJYXVPVSVKQIBDJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.02
Rot. Bonds4

About 5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide

5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42818350) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID42818350
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)C)c(C)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O/c1-5-14-15(16(21)18-10(2)3)11(4)19-20(14)13-8-6-12(17)7-9-13/h6-10H,5H2,1-4H3,(H,18,21)
InChIKeyJYXVPVSVKQIBDJ-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide
CID 42820458
1-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 29354852
3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide
CID 42820184
2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]butanoic acid
CID 119224154
5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
CID 42820286
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603
1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 52777542
N-cyclopropyl-5-ethyl-3-methyl-1-phenylpyrazole-4-carboxamide
CID 42818280
5-ethyl-1-(4-fluorophenyl)-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42820288
methyl (2S)-2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoate
CID 87040238
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 53157521
5-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 16574255

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide (CID 42818350) is 5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)NC(C)C)c(C)nn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is JYXVPVSVKQIBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-5-14-15(16(21)18-10(2)3)11(4)19-20(14)13-8-6-12(17)7-9-13/h6-10H,5H2,1-4H3,(H,18,21).
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide?
5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42818350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).