1-(1-cyclobutylpyrazol-3-yl)propan-1-one

C10H14N2O — CID 174824518

IUPAC1-(1-cyclobutylpyrazol-3-yl)propan-1-one
SMILESCCC(=O)c1ccn(C2CCC2)n1
InChIInChI=1S/C10H14N2O/c1-2-10(13)9-6-7-12(11-9)8-4-3-5-8/h6-8H,2-5H2,1H3
InChIKeyFYYPKOOWTLAPPU-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.20
Rot. Bonds3

About 1-(1-cyclobutylpyrazol-3-yl)propan-1-one

1-(1-cyclobutylpyrazol-3-yl)propan-1-one (PubChem CID 174824518) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(1-cyclobutylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-cyclobutylpyrazol-3-yl)propan-1-one
PubChem CID174824518
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(1-cyclobutylpyrazol-3-yl)propan-1-one
SMILESCCC(=O)c1ccn(C2CCC2)n1
InChIInChI=1S/C10H14N2O/c1-2-10(13)9-6-7-12(11-9)8-4-3-5-8/h6-8H,2-5H2,1H3
InChIKeyFYYPKOOWTLAPPU-UHFFFAOYSA-N
XLogP2.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpyrazol-3-yl)propanamide
CID 170387094
1-cyclopentyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 71968725
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-cyclopropylpyrazole-3-carboxamide
CID 129189141
1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid
CID 64748929
ethyl 1-(4-oxocyclohexyl)pyrazole-3-carboxylate
CID 134414493
1-cyclopentyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 75483755
3-[(1-cyclopentylpyrazol-3-yl)methyl]pentan-2-one
CID 64784585
1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide
CID 166309081
(1-cyclopentylpyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023312
1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
CID 102548381
(2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 99851518

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-(1-cyclobutylpyrazol-3-yl)propan-1-one (CID 174824518) is 1-(1-cyclobutylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(1-cyclobutylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-(1-cyclobutylpyrazol-3-yl)propan-1-one is CCC(=O)c1ccn(C2CCC2)n1.
What is the InChIKey of 1-(1-cyclobutylpyrazol-3-yl)propan-1-one?
The InChIKey is FYYPKOOWTLAPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-10(13)9-6-7-12(11-9)8-4-3-5-8/h6-8H,2-5H2,1H3.
What are the key properties of 1-(1-cyclobutylpyrazol-3-yl)propan-1-one?
1-(1-cyclobutylpyrazol-3-yl)propan-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 174824518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).