5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one

C10H16N2O — CID 91485688

IUPAC5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one
SMILESCc1c(C2CCCCC2)[nH][nH]c1=O
InChIInChI=1S/C10H16N2O/c1-7-9(11-12-10(7)13)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyLXFOZDXPVXRRRP-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.06
Rot. Bonds1

About 5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one

5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one (PubChem CID 91485688) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one
PubChem CID91485688
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one
SMILESCc1c(C2CCCCC2)[nH][nH]c1=O
InChIInChI=1S/C10H16N2O/c1-7-9(11-12-10(7)13)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyLXFOZDXPVXRRRP-UHFFFAOYSA-N
XLogP2.06
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one (CID 91485688) is 5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one is Cc1c(C2CCCCC2)[nH][nH]c1=O.
What is the InChIKey of 5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is LXFOZDXPVXRRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-9(11-12-10(7)13)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,11,12,13).
What are the key properties of 5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one?
5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 180.25 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 91485688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).