2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one

C9H12N4O — CID 165451138

IUPAC2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1-c1cnn(C)c1
InChIInChI=1S/C9H12N4O/c1-6-8(9(14)13(3)11-6)7-4-10-12(2)5-7/h4-5,11H,1-3H3
InChIKeyMYQDXOWPBGTSIV-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.42
Rot. Bonds1

About 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one

2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one (PubChem CID 165451138) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one
PubChem CID165451138
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1-c1cnn(C)c1
InChIInChI=1S/C9H12N4O/c1-6-8(9(14)13(3)11-6)7-4-10-12(2)5-7/h4-5,11H,1-3H3
InChIKeyMYQDXOWPBGTSIV-UHFFFAOYSA-N
XLogP0.42
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-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

6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515852
4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 135388663
ethyl 4-acetyl-5-methyl-3-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxylate
CID 154689025
4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one
CID 136771755
3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine
CID 59333396
4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine
CID 105370998
1,4-dimethylpyrazole
CID 167636457
3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione
CID 177129713
4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one
CID 106515838
3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 138630499
4-(1-methylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one
CID 137278935
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one?
The IUPAC name of 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one (CID 165451138) is 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one is Cc1[nH]n(C)c(=O)c1-c1cnn(C)c1.
What is the InChIKey of 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one?
The InChIKey is MYQDXOWPBGTSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-8(9(14)13(3)11-6)7-4-10-12(2)5-7/h4-5,11H,1-3H3.
What are the key properties of 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one?
2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one has a molecular weight of 192.22 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 165451138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).