2-(4-Amino-3-methylphenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

HCID 21883876
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Basic information

CAS
648917-72-0
Standard SMILES
Cc1cc(=O)n(-c2ccc(N)c(C)c2)[nH]1
InChIKey
GYQVQGNPXJUOER-UHFFFAOYSA-N
Molecular formula
C11H13N3O
Average molar mass
203.24 g/mol
Monoisotopic mass
203.10586204

Names & identifiers

Preferred name
2-(4-Amino-3-methylphenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
IUPAC
2-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazol-3-one

Names & synonyms

648917-72-02-(4-Amino-3-methylphenyl)-5-methyl-1H-pyrazol-3(2H)-oneSCHEMBL4412164DTXSID00619398GYQVQGNPXJUOER-UHFFFAOYSA-N2-(4-Amino-3-methylphenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one2-(4-amino-3-methylphenyl)-5-methyl-1,2-dihydropyrazol-3-one

Database identifiers

CAS
648917-72-0
PubChem CID
21883876
DTXSID
DTXSID00619398

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
58.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

Related reactions

4 records
New reaction record

Compound notes

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