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2-(4-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one

HCID 80815
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Basic information

CAS
6402-08-0
Standard SMILES
CC1=NN(c2ccc(N)cc2)C(=O)C1
InChIKey
VNXUPEPDMYVBQY-UHFFFAOYSA-N
Molecular formula
C10H11N3O
Average molar mass
189.21 g/mol
Monoisotopic mass
189.09021198

Names & identifiers

Preferred name
2-(4-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
IUPAC
2-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one
English name
2-(4-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
Molecular formula
C10H11N3O
Molecular weight
189.21

Names & synonyms

6402-08-02-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one1-(4-aminophenyl)-3-methyl-1H-pyrazol-5(4H)-one2-(4-Aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one2-Pyrazolin-5-one, 1-(p-aminophenyl)-3-methyl-5H4KVS3DR41-(4-aminophenyl)-3-methyl-2-pyrazolin-5-oneNSC-75621-(4-aminophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-oneEINECS 229-017-33H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-methyl-DTXSID00214004
Show more names
2-(4-azanylphenyl)-5-methyl-4H-pyrazol-3-one2-(4-Aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-o2-(4-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one(SALTDATA: 2HCl)2-(4-aMinophenyl)-5-Methyl-2,4-dihydro-3H-pyrazol-3-one dihydrochloride (SALTDATA: 2HCl)
NSC 75622-(4-Amino-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one1-(4-aminophenyl)-3-methyl-5-pyrazolone1-P-AMINOPHENYL-3-METHYL-5-PYRAZOLONE[4-(4,5-Dihydro-3-methyl-5-oxopyrazol-1-yl)phenyl]amine(4-(4,5-DIHYDRO-3-METHYL-5-OXOPYRAZOL-1-YL)PHENYL)AMINERefChem:84335DTXCID60136495

Database identifiers

CAS
6402-08-0
PubChem CID
80815
DTXSID
DTXSID00214004
ChEMBL
CHEMBL1625482
UNII
5H4KVS3DR4
EC Number
229-017-3
Nikkaji
J207.009J

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
58.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
267

Physicochemical properties

Boiling point
433 · 433.0±28.0 °C(Predicted)
Density
1.3 · 1.30±0.1 g/cm3(Predicted)
pka
4.93 · 4.93±0.10(Predicted)
FDA UNII
5 H4KVS3DR4 · 5H4KVS3DR4

Chemistry & industry

Upstream & downstream products

Downstream products

Direct Red 173

Related reactions

4 records
New reaction record
HRID 362452 reaction equation
HRID 362452As reactantuspto-grants-1999_02
HRID 362453 reaction equation
HRID 362453As productuspto-grants-1999_02
HRID 1636336 reaction equation
HRID 1636336As reactantuspto-grants-2000_03
HRID 1636339 reaction equation
HRID 1636339As reactantuspto-grants-2000_03

Compound notes

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