2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one

C11H19N3O — CID 83884640

IUPAC2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one
SMILESCNCc1cc(=O)n(C2CCCCC2)[nH]1
InChIInChI=1S/C11H19N3O/c1-12-8-9-7-11(15)14(13-9)10-5-3-2-4-6-10/h7,10,12-13H,2-6,8H2,1H3
InChIKeyFYACSNPQQRXRJU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.40
Rot. Bonds3

About 2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one

2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one (PubChem CID 83884640) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one
PubChem CID83884640
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one
SMILESCNCc1cc(=O)n(C2CCCCC2)[nH]1
InChIInChI=1S/C11H19N3O/c1-12-8-9-7-11(15)14(13-9)10-5-3-2-4-6-10/h7,10,12-13H,2-6,8H2,1H3
InChIKeyFYACSNPQQRXRJU-UHFFFAOYSA-N
XLogP1.40
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one (CID 83884640) is 2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one is CNCc1cc(=O)n(C2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one?
The InChIKey is FYACSNPQQRXRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-12-8-9-7-11(15)14(13-9)10-5-3-2-4-6-10/h7,10,12-13H,2-6,8H2,1H3.
What are the key properties of 2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one?
2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 83884640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).