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1015846-02-2 molecular structure
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4-methyl-1-(pentan-3-yl)-1H-pyrazol-5-amine

ChemBase ID: 307729
Molecular Formular: C9H17N3
Molecular Mass: 167.25138
Monoisotopic Mass: 167.14224756
SMILES and InChIs

SMILES:
n1(c(c(cn1)C)N)C(CC)CC
Canonical SMILES:
CCC(n1ncc(c1N)C)CC
InChI:
InChI=1S/C9H17N3/c1-4-8(5-2)12-9(10)7(3)6-11-12/h6,8H,4-5,10H2,1-3H3
InChIKey:
CZYXLVBBCIKKNB-UHFFFAOYSA-N

Cite this record

CBID:307729 http://www.chembase.cn/molecule-307729.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-1-(pentan-3-yl)-1H-pyrazol-5-amine
IUPAC Traditional name
4-methyl-2-(pentan-3-yl)pyrazol-3-amine
Synonyms
1-(1-ethylpropyl)-4-methyl-1H-pyrazol-5-amine
CAS Number
1015846-02-2
MDL Number
MFCD08457388

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) 1.9890418  LogD (pH = 7.4) 1.993266 
Log P 1.9933201  Molar Refractivity 62.1717 cm3
Polarizability 19.15929 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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