2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one

C13H22N2O2 — CID 55133205

IUPAC2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(C2CCCCC2O)C(=O)C1C(C)C
InChIInChI=1S/C13H22N2O2/c1-8(2)12-9(3)14-15(13(12)17)10-6-4-5-7-11(10)16/h8,10-12,16H,4-7H2,1-3H3
InChIKeyFTZVNLTUEPLFTP-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.78
Rot. Bonds2

About 2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one

2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one (PubChem CID 55133205) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
PubChem CID55133205
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(C2CCCCC2O)C(=O)C1C(C)C
InChIInChI=1S/C13H22N2O2/c1-8(2)12-9(3)14-15(13(12)17)10-6-4-5-7-11(10)16/h8,10-12,16H,4-7H2,1-3H3
InChIKeyFTZVNLTUEPLFTP-UHFFFAOYSA-N
XLogP1.78
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
CID 62913663
5-ethyl-2-(2-hydroxycyclohexyl)-4-methyl-4H-pyrazol-3-one
CID 63561652
4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one
CID 63971066
5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one
CID 62916033
1-(2-hydroxycycloheptyl)-3,4-dimethylpyrrole-2,5-dione
CID 113394967
2-(2-hydroxycycloheptyl)-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 106468617
2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
CID 62913282
2-(1-cycloheptyl-3-methyl-5-oxo-4H-pyrazol-4-yl)acetic acid
CID 61272408
2-(2-hydroxycycloheptyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 55105787
1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 62714636
3-(2-hydroxycyclohexyl)-1,3-oxazolidin-2-one
CID 22949482
2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid
CID 62713916

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one?
The IUPAC name of 2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one (CID 55133205) is 2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one is CC1=NN(C2CCCCC2O)C(=O)C1C(C)C.
What is the InChIKey of 2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one?
The InChIKey is FTZVNLTUEPLFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)12-9(3)14-15(13(12)17)10-6-4-5-7-11(10)16/h8,10-12,16H,4-7H2,1-3H3.
What are the key properties of 2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one?
2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one has a molecular weight of 238.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 55133205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).