N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide

C17H20FN3O2 — CID 78840816

IUPACN-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCC(C)n1nccc1NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-3-12(2)21-16(10-11-19-21)20-17(23)9-8-15(22)13-4-6-14(18)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,23)
InChIKeyISCFSVJJZCEIQX-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.59
Rot. Bonds7

About N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide

N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 78840816) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID78840816
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCC(C)n1nccc1NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-3-12(2)21-16(10-11-19-21)20-17(23)9-8-15(22)13-4-6-14(18)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,23)
InChIKeyISCFSVJJZCEIQX-UHFFFAOYSA-N
XLogP3.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 78772185
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
CID 134025818
N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 78848125
N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
CID 134022419
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 112761610
4-(4-fluorophenyl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 51241875
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
4-oxo-4-[(2-pentan-3-ylpyrazol-3-yl)amino]butanoic acid
CID 134703129
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 95189916
4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide
CID 125462713
N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide
CID 110025212

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 78840816) is N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide is CCC(C)n1nccc1NC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is ISCFSVJJZCEIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-3-12(2)21-16(10-11-19-21)20-17(23)9-8-15(22)13-4-6-14(18)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,23).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 317.36 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 78840816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).