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

C10H16N2O — CID 10192605

IUPAC2-cyclohexyl-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C10H16N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyCLCIJTSYLYHCAX-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.93
Rot. Bonds1

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

2-cyclohexyl-5-methyl-4H-pyrazol-3-one (PubChem CID 10192605) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-4H-pyrazol-3-one
PubChem CID10192605
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-cyclohexyl-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C10H16N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyCLCIJTSYLYHCAX-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-cyclohexyl-5-methyl-4H-pyrazol-3-one (CID 10192605) is 2-cyclohexyl-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-cyclohexyl-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-cyclohexyl-5-methyl-4H-pyrazol-3-one is CC1=NN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 2-cyclohexyl-5-methyl-4H-pyrazol-3-one?
The InChIKey is CLCIJTSYLYHCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3.
What are the key properties of 2-cyclohexyl-5-methyl-4H-pyrazol-3-one?
2-cyclohexyl-5-methyl-4H-pyrazol-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 10192605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).