1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one

C14H22N2O2 — CID 103453825

IUPAC1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one
SMILESCCCC(O)C(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H22N2O2/c1-2-5-13(17)14(18)10-11-8-9-16(15-11)12-6-3-4-7-12/h8-9,12-13,17H,2-7,10H2,1H3
InChIKeyVPDNONRVEODGRW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.27
Rot. Bonds6

About 1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one

1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one (PubChem CID 103453825) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one
PubChem CID103453825
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one
SMILESCCCC(O)C(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H22N2O2/c1-2-5-13(17)14(18)10-11-8-9-16(15-11)12-6-3-4-7-12/h8-9,12-13,17H,2-7,10H2,1H3
InChIKeyVPDNONRVEODGRW-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one
CID 103458105
3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one
CID 116552125
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
1-(1-cyclopentylpyrazol-3-yl)-3-methoxyhexan-2-ol
CID 116711674
2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114977358
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one
CID 116607065
3-[(1-cyclopentylpyrazol-3-yl)methyl]pentan-2-one
CID 64784585

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one (CID 103453825) is 1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one is CCCC(O)C(=O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one?
The InChIKey is VPDNONRVEODGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-5-13(17)14(18)10-11-8-9-16(15-11)12-6-3-4-7-12/h8-9,12-13,17H,2-7,10H2,1H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one?
1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one is sourced from PubChem (CID 103453825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).