methane;pyrazol-3-one

C4H6N2O — CID 66625056

IUPACmethane;pyrazol-3-one
SMILESC.O=C1C=CN=N1
InChIInChI=1S/C3H2N2O.CH4/c6-3-1-2-4-5-3;/h1-2H;1H4
InChIKeyQRCURKSYDJBDKY-UHFFFAOYSA-N
MW98.10 g/mol
LogP1.13
Rot. Bonds

About methane;pyrazol-3-one

methane;pyrazol-3-one (PubChem CID 66625056) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is methane;pyrazol-3-one.

Molecular Properties

Compound Namemethane;pyrazol-3-one
PubChem CID66625056
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Namemethane;pyrazol-3-one
SMILESC.O=C1C=CN=N1
InChIInChI=1S/C3H2N2O.CH4/c6-3-1-2-4-5-3;/h1-2H;1H4
InChIKeyQRCURKSYDJBDKY-UHFFFAOYSA-N
XLogP1.13
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methane;pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;pyrazol-3-one?
The IUPAC name of methane;pyrazol-3-one (CID 66625056) is methane;pyrazol-3-one.
What is the SMILES notation for methane;pyrazol-3-one?
The canonical SMILES for methane;pyrazol-3-one is C.O=C1C=CN=N1.
What is the InChIKey of methane;pyrazol-3-one?
The InChIKey is QRCURKSYDJBDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2O.CH4/c6-3-1-2-4-5-3;/h1-2H;1H4.
What are the key properties of methane;pyrazol-3-one?
methane;pyrazol-3-one has a molecular weight of 98.10 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;pyrazol-3-one is sourced from PubChem (CID 66625056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).