1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one

C13H24N2O — CID 20577289

IUPAC1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one
SMILESCC(C)c1c(C(C)C)n(C)n(C(C)C)c1=O
InChIInChI=1S/C13H24N2O/c1-8(2)11-12(9(3)4)14(7)15(10(5)6)13(11)16/h8-10H,1-7H3
InChIKeyWQDHDIOMCJRQDM-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.01
Rot. Bonds3

About 1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one

1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one (PubChem CID 20577289) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one.

Molecular Properties

Compound Name1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one
PubChem CID20577289
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one
SMILESCC(C)c1c(C(C)C)n(C)n(C(C)C)c1=O
InChIInChI=1S/C13H24N2O/c1-8(2)11-12(9(3)4)14(7)15(10(5)6)13(11)16/h8-10H,1-7H3
InChIKeyWQDHDIOMCJRQDM-UHFFFAOYSA-N
XLogP3.01
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2,4,5-tri(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

Related Compounds

1H,5H-Pyrazolo(1,2-a)pyrazol-1-one, 6,7-dihydro-2-ethyl-3-methyl-
CID 3040287
N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide
CID 18620008
5-tert-butyl-2,4-diethyl-1H-pyrazol-3-one
CID 20396394
2-Ethyl-1,5-dimethyl-4-propan-2-ylpyrazol-3-one
CID 20464002
1,7-Dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione
CID 20707311
2-butyl-4,5-ditert-butyl-1H-pyrazol-3-one
CID 20872021
4-Tert-butyl-1,2,5-trimethylpyrazol-3-one
CID 58268781
1,5-Dimethyl-2,4-di(propan-2-yl)pyrazol-3-one
CID 58567448
1-Ethyl-5-methyl-2,4-di(propan-2-yl)pyrazol-3-one
CID 58567488
5-Ethyl-1-methyl-2,4-di(propan-2-yl)pyrazol-3-one
CID 58567570
1-Methyl-2,4-di(propan-2-yl)pyrazol-3-one
CID 58567593
5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one
CID 58567617

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one?
The IUPAC name of 1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one (CID 20577289) is 1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one.
What is the SMILES notation for 1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one?
The canonical SMILES for 1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one is CC(C)c1c(C(C)C)n(C)n(C(C)C)c1=O.
What is the InChIKey of 1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one?
The InChIKey is WQDHDIOMCJRQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-8(2)11-12(9(3)4)14(7)15(10(5)6)13(11)16/h8-10H,1-7H3.
What are the key properties of 1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one?
1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one has a molecular weight of 224.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one is sourced from PubChem (CID 20577289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).