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30823-52-0 molecular structure
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1-methyl-4-phenyl-1H-pyrazol-5-amine

ChemBase ID: 306890
Molecular Formular: C10H11N3
Molecular Mass: 173.21444
Monoisotopic Mass: 173.09529737
SMILES and InChIs

SMILES:
c1(c(n(nc1)C)N)c1ccccc1
Canonical SMILES:
Cn1ncc(c1N)c1ccccc1
InChI:
InChI=1S/C10H11N3/c1-13-10(11)9(7-12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKey:
FPQCXVQVDKKHAD-UHFFFAOYSA-N

Cite this record

CBID:306890 http://www.chembase.cn/molecule-306890.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-4-phenyl-1H-pyrazol-5-amine
IUPAC Traditional name
2-methyl-4-phenylpyrazol-3-amine
Synonyms
1-methyl-4-phenyl-1H-pyrazol-5-amine
CAS Number
30823-52-0
MDL Number
MFCD05664143

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3070302  LogD (pH = 7.4) 1.3086753 
Log P 1.3086963  Molar Refractivity 64.0513 cm3
Polarizability 21.024363 Å3 Polar Surface Area 43.84 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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