2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one

C9H15N3O — CID 84718546

IUPAC2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one
SMILESNCCN1N=C(C2CCC2)CC1=O
InChIInChI=1S/C9H15N3O/c10-4-5-12-9(13)6-8(11-12)7-2-1-3-7/h7H,1-6,10H2
InChIKeyVRUUTBPKQMVUDO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.33
Rot. Bonds3

About 2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one

2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one (PubChem CID 84718546) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one
PubChem CID84718546
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one
SMILESNCCN1N=C(C2CCC2)CC1=O
InChIInChI=1S/C9H15N3O/c10-4-5-12-9(13)6-8(11-12)7-2-1-3-7/h7H,1-6,10H2
InChIKeyVRUUTBPKQMVUDO-UHFFFAOYSA-N
XLogP0.33
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one
CID 86111548
2-(2-aminoethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 84658476
1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one
CID 105440757
8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione
CID 63630601
5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one
CID 167747691
5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one
CID 68678267
2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine
CID 98010112
5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one
CID 63352773
5-cyclopropyl-2-(2,5-difluorophenyl)-4H-pyrazol-3-one
CID 68679875
1-[1-(2-aminoethyl)piperidin-4-yl]-4-cyclobutylimidazolidin-2-one
CID 116979342
2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one
CID 139680153
3-cyclobutyl-4H-pyridazin-5-one
CID 55268561

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one?
The IUPAC name of 2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one (CID 84718546) is 2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one is NCCN1N=C(C2CCC2)CC1=O.
What is the InChIKey of 2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one?
The InChIKey is VRUUTBPKQMVUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-4-5-12-9(13)6-8(11-12)7-2-1-3-7/h7H,1-6,10H2.
What are the key properties of 2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one?
2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one is sourced from PubChem (CID 84718546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).