5-cyclohexyl-2-methyl-4H-pyrazol-3-one

C10H16N2O — CID 15203938

IUPAC5-cyclohexyl-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(C2CCCCC2)CC1=O
InChIInChI=1S/C10H16N2O/c1-12-10(13)7-9(11-12)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyGLPCQGFZPVZUSV-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.78
Rot. Bonds1

About 5-cyclohexyl-2-methyl-4H-pyrazol-3-one

5-cyclohexyl-2-methyl-4H-pyrazol-3-one (PubChem CID 15203938) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-cyclohexyl-2-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclohexyl-2-methyl-4H-pyrazol-3-one
PubChem CID15203938
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-cyclohexyl-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(C2CCCCC2)CC1=O
InChIInChI=1S/C10H16N2O/c1-12-10(13)7-9(11-12)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyGLPCQGFZPVZUSV-UHFFFAOYSA-N
XLogP1.78
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-methyl-4H-pyrazol-3-one?
The IUPAC name of 5-cyclohexyl-2-methyl-4H-pyrazol-3-one (CID 15203938) is 5-cyclohexyl-2-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-cyclohexyl-2-methyl-4H-pyrazol-3-one?
The canonical SMILES for 5-cyclohexyl-2-methyl-4H-pyrazol-3-one is CN1N=C(C2CCCCC2)CC1=O.
What is the InChIKey of 5-cyclohexyl-2-methyl-4H-pyrazol-3-one?
The InChIKey is GLPCQGFZPVZUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12-10(13)7-9(11-12)8-5-3-2-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 5-cyclohexyl-2-methyl-4H-pyrazol-3-one?
5-cyclohexyl-2-methyl-4H-pyrazol-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 15203938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).