5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one

C9H12N4O2 — CID 4912909

IUPAC5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1Cc1c(C)[nH][nH]c1=O
InChIInChI=1S/C9H12N4O2/c1-4-6(8(14)12-10-4)3-7-5(2)11-13-9(7)15/h3H2,1-2H3,(H2,10,12,14)(H2,11,13,15)
InChIKeyIQMMKBKMISGXIY-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.07
Rot. Bonds2

About 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one

5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one (PubChem CID 4912909) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one
PubChem CID4912909
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1Cc1c(C)[nH][nH]c1=O
InChIInChI=1S/C9H12N4O2/c1-4-6(8(14)12-10-4)3-7-5(2)11-13-9(7)15/h3H2,1-2H3,(H2,10,12,14)(H2,11,13,15)
InChIKeyIQMMKBKMISGXIY-UHFFFAOYSA-N
XLogP-0.07
TPSA97.30 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-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

2,2'-[(2,6-Dimethyl-1,4-dihydropyridine-3,5-diyl)bis(carbonylhydrazine-2,1-diyl)]bis(2-oxoacetamide)
CID 377035
4-Butyl-5-methylpyrazalone
CID 574166
1-(3-Methyl-5-oxo-1,2-dihydropyrazol-4-yl)butane-1,3-dione
CID 15441810
1,2,4,5,6,8-Hexahydropyrazolo[3,4-f]indazole-3,7-dione
CID 6921296
5-Methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one
CID 50888926
5-Methyl-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 68139047
5-Methyl-4-(3-oxobutyl)-1,2-dihydropyrazol-3-one
CID 91232161
Ethane;5-methyl-4-propyl-1,2-dihydropyrazol-3-one
CID 142134631
5-Butyl-4-methyl-1,2-dihydropyrazol-3-one
CID 144021276
2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one
CID 154665018
4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 170298843
4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one
CID 174458814

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one (CID 4912909) is 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1Cc1c(C)[nH][nH]c1=O.
What is the InChIKey of 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one?
The InChIKey is IQMMKBKMISGXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-4-6(8(14)12-10-4)3-7-5(2)11-13-9(7)15/h3H2,1-2H3,(H2,10,12,14)(H2,11,13,15).
What are the key properties of 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one?
5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one has a molecular weight of 208.22 g/mol, XLogP of -0.07, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 4912909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).