5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one

C12H19N3O — CID 129430763

IUPAC5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one
SMILESO=c1cc(C2CCC2)[nH]n1C[C@H]1CCCN1
InChIInChI=1S/C12H19N3O/c16-12-7-11(9-3-1-4-9)14-15(12)8-10-5-2-6-13-10/h7,9-10,13-14H,1-6,8H2/t10-/m1/s1
InChIKeyNYOZWKGSUWHPAC-SNVBAGLBSA-N
MW221.30 g/mol
LogP1.20
Rot. Bonds3

About 5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one

5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one (PubChem CID 129430763) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one
PubChem CID129430763
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one
SMILESO=c1cc(C2CCC2)[nH]n1C[C@H]1CCCN1
InChIInChI=1S/C12H19N3O/c16-12-7-11(9-3-1-4-9)14-15(12)8-10-5-2-6-13-10/h7,9-10,13-14H,1-6,8H2/t10-/m1/s1
InChIKeyNYOZWKGSUWHPAC-SNVBAGLBSA-N
XLogP1.20
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-2-[[(2S)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one
CID 129430772
5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
CID 84727120
5-cyclobutyl-2-prop-2-ynyl-1H-pyrazol-3-one
CID 121214237
5-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrazol-3-one
CID 121214210
ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 129463261
1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
CID 94889645
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
CID 102819741
5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one
CID 84722940
1-methyl-3-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 62490301
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
CID 114395863

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one?
The IUPAC name of 5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one (CID 129430763) is 5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one?
The canonical SMILES for 5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one is O=c1cc(C2CCC2)[nH]n1C[C@H]1CCCN1.
What is the InChIKey of 5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one?
The InChIKey is NYOZWKGSUWHPAC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12-7-11(9-3-1-4-9)14-15(12)8-10-5-2-6-13-10/h7,9-10,13-14H,1-6,8H2/t10-/m1/s1.
What are the key properties of 5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one?
5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one is sourced from PubChem (CID 129430763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).