2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one

C12H20N2O2 — CID 66022339

IUPAC2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1cc(=O)n(C2CCCCC2O)[nH]1
InChIInChI=1S/C12H20N2O2/c1-8(2)9-7-12(16)14(13-9)10-5-3-4-6-11(10)15/h7-8,10-11,13,15H,3-6H2,1-2H3
InChIKeyZVPCCUVHXGEIOT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.78
Rot. Bonds2

About 2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one

2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one (PubChem CID 66022339) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one
PubChem CID66022339
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1cc(=O)n(C2CCCCC2O)[nH]1
InChIInChI=1S/C12H20N2O2/c1-8(2)9-7-12(16)14(13-9)10-5-3-4-6-11(10)15/h7-8,10-11,13,15H,3-6H2,1-2H3
InChIKeyZVPCCUVHXGEIOT-UHFFFAOYSA-N
XLogP1.78
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one
CID 66022543
5-ethyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one
CID 66020278
5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one
CID 66020895
2-(2-hydroxycyclopentyl)-5-propyl-1H-pyrazol-3-one
CID 66021301
2-(2-hydroxycyclopentyl)-5-propan-2-yl-1H-pyrazol-3-one
CID 66021302
5-ethyl-2-(2-hydroxycyclopentyl)-1H-pyrazol-3-one
CID 66021511
2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one
CID 66022135
2-(2-hydroxycyclohexyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66022136
2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one
CID 66022338
5-tert-butyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one
CID 66022340
4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one
CID 66022341
5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one
CID 66022541

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one (CID 66022339) is 2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one is CC(C)c1cc(=O)n(C2CCCCC2O)[nH]1.
What is the InChIKey of 2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is ZVPCCUVHXGEIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)9-7-12(16)14(13-9)10-5-3-4-6-11(10)15/h7-8,10-11,13,15H,3-6H2,1-2H3.
What are the key properties of 2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one?
2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 224.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)-5-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 66022339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).