5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one

C13H21N3O — CID 84727120

IUPAC5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C2CCC2)[nH]n1CC1CCCCN1
InChIInChI=1S/C13H21N3O/c17-13-8-12(10-4-3-5-10)15-16(13)9-11-6-1-2-7-14-11/h8,10-11,14-15H,1-7,9H2
InChIKeyVUGCHRIYGJDNKA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.59
Rot. Bonds3

About 5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one

5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one (PubChem CID 84727120) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
PubChem CID84727120
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C2CCC2)[nH]n1CC1CCCCN1
InChIInChI=1S/C13H21N3O/c17-13-8-12(10-4-3-5-10)15-16(13)9-11-6-1-2-7-14-11/h8,10-11,14-15H,1-7,9H2
InChIKeyVUGCHRIYGJDNKA-UHFFFAOYSA-N
XLogP1.59
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one
CID 129430763
5-cyclopropyl-2-[[(2S)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one
CID 129430772
5-cyclobutyl-2-prop-2-ynyl-1H-pyrazol-3-one
CID 121214237
5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one
CID 84722940
ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 129463261
2-methyl-5-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
CID 83847605
1-(piperidin-2-ylmethyl)pyrrolidin-3-one
CID 115016246
2-[(5-cyclobutyltriazol-1-yl)methyl]piperidine
CID 115032296
2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
CID 105498032
5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one
CID 114395928
3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one
CID 105482162
2-(pyrrol-1-ylmethyl)piperidine
CID 54001676

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one?
The IUPAC name of 5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one (CID 84727120) is 5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one is O=c1cc(C2CCC2)[nH]n1CC1CCCCN1.
What is the InChIKey of 5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one?
The InChIKey is VUGCHRIYGJDNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c17-13-8-12(10-4-3-5-10)15-16(13)9-11-6-1-2-7-14-11/h8,10-11,14-15H,1-7,9H2.
What are the key properties of 5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one?
5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one has a molecular weight of 235.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 84727120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).