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3702-15-6 molecular structure
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4-methyl-1-(2-methylpropyl)-1H-pyrazol-5-amine

ChemBase ID: 307340
Molecular Formular: C8H15N3
Molecular Mass: 153.2248
Monoisotopic Mass: 153.1265975
SMILES and InChIs

SMILES:
n1(c(c(cn1)C)N)CC(C)C
Canonical SMILES:
CC(Cn1ncc(c1N)C)C
InChI:
InChI=1S/C8H15N3/c1-6(2)5-11-8(9)7(3)4-10-11/h4,6H,5,9H2,1-3H3
InChIKey:
VGNLOSPYMNAZTA-UHFFFAOYSA-N

Cite this record

CBID:307340 http://www.chembase.cn/molecule-307340.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-1-(2-methylpropyl)-1H-pyrazol-5-amine
IUPAC Traditional name
4-methyl-2-(2-methylpropyl)pyrazol-3-amine
Synonyms
1-isobutyl-4-methyl-1H-pyrazol-5-amine
CAS Number
3702-15-6
MDL Number
MFCD08457416

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4087869 external link Add to cart 4014357 external link Add to cart
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4145464  LogD (pH = 7.4) 1.4191366 
Log P 1.4191955  Molar Refractivity 57.7005 cm3
Polarizability 17.317522 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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