1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one

C11H20N2O — CID 58567448

IUPAC1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one
SMILESCc1c(C(C)C)c(=O)n(C(C)C)n1C
InChIInChI=1S/C11H20N2O/c1-7(2)10-9(5)12(6)13(8(3)4)11(10)14/h7-8H,1-6H3
InChIKeyLOGJKSGZLDHFBW-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.20
Rot. Bonds2

About 1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one

1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one (PubChem CID 58567448) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one
PubChem CID58567448
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one
SMILESCc1c(C(C)C)c(=O)n(C(C)C)n1C
InChIInChI=1S/C11H20N2O/c1-7(2)10-9(5)12(6)13(8(3)4)11(10)14/h7-8H,1-6H3
InChIKeyLOGJKSGZLDHFBW-UHFFFAOYSA-N
XLogP2.20
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,5-dimethyl-2,4-di(propan-2-yl)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 1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one?
The IUPAC name of 1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one (CID 58567448) is 1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one is Cc1c(C(C)C)c(=O)n(C(C)C)n1C.
What is the InChIKey of 1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one?
The InChIKey is LOGJKSGZLDHFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(2)10-9(5)12(6)13(8(3)4)11(10)14/h7-8H,1-6H3.
What are the key properties of 1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one?
1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one has a molecular weight of 196.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,4-di(propan-2-yl)pyrazol-3-one is sourced from PubChem (CID 58567448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).