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618092-90-3 molecular structure
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3-(2-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine

ChemBase ID: 279759
Molecular Formular: C17H17N3
Molecular Mass: 263.33698
Monoisotopic Mass: 263.14224756
SMILES and InChIs

SMILES:
n1n(c(cc1c1c(C)cccc1)N)c1ccc(cc1)C
Canonical SMILES:
Cc1ccc(cc1)n1nc(cc1N)c1ccccc1C
InChI:
InChI=1S/C17H17N3/c1-12-7-9-14(10-8-12)20-17(18)11-16(19-20)15-6-4-3-5-13(15)2/h3-11H,18H2,1-2H3
InChIKey:
IBCAQUOBKMYSHW-UHFFFAOYSA-N

Cite this record

CBID:279759 http://www.chembase.cn/molecule-279759.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine
IUPAC Traditional name
5-(2-methylphenyl)-2-(4-methylphenyl)pyrazol-3-amine
Synonyms
3-(2-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine
CAS Number
618092-90-3
MDL Number
MFCD04122784
PubChem SID
164335669
PubChem CID
5129860

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-86752 external link Add to cart Please log in.
Data Source Data ID
PubChem 5129860 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.3779235  LogD (pH = 7.4) 4.3793297 
Log P 4.379348  Molar Refractivity 83.22 cm3
Polarizability 33.151867 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
4.208 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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