CN1C(=O)C=CN1
CAS: 33641-15-5
Name: 2-methyl-1H-pyrazol-3-one
SMILES: CN1C(=O)C=CN1

Molecular Processing

Molecular formula
C4H6N2O
Molecular weight
98.1
Exact mass
98.048
XLogP
-0.29
TPSA
37.79
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
26.03

Supplementary Information

InChIKey: JMARSTSWTFXHMC-UHFFFAOYSA-N
Synonyme
1-methyl-1H-pyrazol-5-ol33641-15-55-Hydroxy-1-methyl-1H-pyrazoleDTXSID301312855RefChem:433879DTXCID301225694608-897-65-Hydroxy-1-methylpyrazole2-methyl-1H-pyrazol-3(2H)-one3310-35-82-methyl-1H-pyrazol-3-oneMFCD05864418MFCD205273891H-Pyrazol-5-ol, 1-methyl-1-Methyl-1H-pyrazol-5-ol; 1-Methylpyrazol-5-ol; 1-Methyl-5-hydroxy-1H-pyrazole; 1-Methyl-5-hydroxypyrazole; 5-Hydroxy-1-methyl-5-pyrazole;1-methylpyrazol-5-one5-Hydroxy-1-methyl-1H-pyrazole, 95%1-methyl-5-hydroxypyrazol1-methyl-5-hydroxypyrazole3-hydroxy-2-methylpyrazoleSCHEMBL333295SCHEMBL700364SCHEMBL2125364SCHEMBL2279912SCHEMBL2918041SCHEMBL4702971SCHEMBL5307247CMXOTACIOGGSNH-UHFFFAOYSA-NJMARSTSWTFXHMC-UHFFFAOYSA-N2-methyl-1,2-dihydropyrazol-3-one
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