5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one

C13H17N3O — CID 62914024

IUPAC5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2cc(C)ccn2)C(=O)C1C(C)C
InChIInChI=1S/C13H17N3O/c1-8(2)12-10(4)15-16(13(12)17)11-7-9(3)5-6-14-11/h5-8,12H,1-4H3
InChIKeyBWWHWMJEVVOGTP-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.38
Rot. Bonds2

About 5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one

5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one (PubChem CID 62914024) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one
PubChem CID62914024
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2cc(C)ccn2)C(=O)C1C(C)C
InChIInChI=1S/C13H17N3O/c1-8(2)12-10(4)15-16(13(12)17)11-7-9(3)5-6-14-11/h5-8,12H,1-4H3
InChIKeyBWWHWMJEVVOGTP-UHFFFAOYSA-N
XLogP2.38
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-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 5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one (CID 62914024) is 5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one is CC1=NN(c2cc(C)ccn2)C(=O)C1C(C)C.
What is the InChIKey of 5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one?
The InChIKey is BWWHWMJEVVOGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(2)12-10(4)15-16(13(12)17)11-7-9(3)5-6-14-11/h5-8,12H,1-4H3.
What are the key properties of 5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one?
5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one has a molecular weight of 231.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 62914024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).