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1015845-62-1 molecular structure
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4-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-amine

ChemBase ID: 307336
Molecular Formular: C12H15N3
Molecular Mass: 201.2676
Monoisotopic Mass: 201.1265975
SMILES and InChIs

SMILES:
n1(c(c(cn1)C)N)Cc1cc(ccc1)C
Canonical SMILES:
Cc1cccc(c1)Cn1ncc(c1N)C
InChI:
InChI=1S/C12H15N3/c1-9-4-3-5-11(6-9)8-15-12(13)10(2)7-14-15/h3-7H,8,13H2,1-2H3
InChIKey:
LUJTZEMUNKPLDE-UHFFFAOYSA-N

Cite this record

CBID:307336 http://www.chembase.cn/molecule-307336.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-amine
IUPAC Traditional name
4-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-amine
Synonyms
4-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-amine
CAS Number
1015845-62-1
MDL Number
MFCD08457369

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4086626  LogD (pH = 7.4) 2.4127347 
Log P 2.4127867  Molar Refractivity 73.6101 cm3
Polarizability 23.158033 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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