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307342-03-6 molecular structure
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3-methyl-1-(4-methylquinolin-2-yl)-1H-pyrazol-5-amine

ChemBase ID: 311204
Molecular Formular: C14H14N4
Molecular Mass: 238.28776
Monoisotopic Mass: 238.12184647
SMILES and InChIs

SMILES:
n1(c(cc(n1)C)N)c1nc2c(c(c1)C)cccc2
Canonical SMILES:
Cc1nn(c(c1)N)c1cc(C)c2c(n1)cccc2
InChI:
InChI=1S/C14H14N4/c1-9-7-14(18-13(15)8-10(2)17-18)16-12-6-4-3-5-11(9)12/h3-8H,15H2,1-2H3
InChIKey:
MRXLQLYHWDBUCH-UHFFFAOYSA-N

Cite this record

CBID:311204 http://www.chembase.cn/molecule-311204.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-1-(4-methylquinolin-2-yl)-1H-pyrazol-5-amine
IUPAC Traditional name
5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-amine
Synonyms
3-methyl-1-(4-methyl-2-quinolinyl)-1H-pyrazol-5-amine
CAS Number
307342-03-6
MDL Number
MFCD01464873

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7086656  LogD (pH = 7.4) 2.7162356 
Log P 2.7163332  Molar Refractivity 72.2409 cm3
Polarizability 28.036995 Å3 Polar Surface Area 56.73 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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