2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one

C16H20N2O — CID 167833084

IUPAC2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one
SMILESO=C1CC(CCc2ccccc2)=NN1C1CCCC1
InChIInChI=1S/C16H20N2O/c19-16-12-14(11-10-13-6-2-1-3-7-13)17-18(16)15-8-4-5-9-15/h1-3,6-7,15H,4-5,8-12H2
InChIKeySDEPJYMOMANNJR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.15
Rot. Bonds4

About 2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one

2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one (PubChem CID 167833084) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one
PubChem CID167833084
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one
SMILESO=C1CC(CCc2ccccc2)=NN1C1CCCC1
InChIInChI=1S/C16H20N2O/c19-16-12-14(11-10-13-6-2-1-3-7-13)17-18(16)15-8-4-5-9-15/h1-3,6-7,15H,4-5,8-12H2
InChIKeySDEPJYMOMANNJR-UHFFFAOYSA-N
XLogP3.15
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione
CID 118531814
(3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione
CID 118531813
5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one
CID 86111548
1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione
CID 84602875
2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid
CID 62713916
2-benzyl-4-cyclopentylpyridazin-3-one
CID 141479877
2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline
CID 102080397
2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one
CID 55138154
2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933
2-cyclohexyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714969
3-cyclopentyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114921872
1-benzyl-3-cyclohexyl-4-hydroxy-5-(2-phenylethyl)imidazol-2-one
CID 90883448

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one?
The IUPAC name of 2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one (CID 167833084) is 2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one?
The canonical SMILES for 2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one is O=C1CC(CCc2ccccc2)=NN1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one?
The InChIKey is SDEPJYMOMANNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16-12-14(11-10-13-6-2-1-3-7-13)17-18(16)15-8-4-5-9-15/h1-3,6-7,15H,4-5,8-12H2.
What are the key properties of 2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one?
2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one has a molecular weight of 256.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(2-phenylethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 167833084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).