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1006483-43-7 molecular structure
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1-propyl-1H-pyrazol-4-amine

ChemBase ID: 283100
Molecular Formular: C6H11N3
Molecular Mass: 125.17164
Monoisotopic Mass: 125.09529737
SMILES and InChIs

SMILES:
n1n(cc(c1)N)CCC
Canonical SMILES:
CCCn1cc(cn1)N
InChI:
InChI=1S/C6H11N3/c1-2-3-9-5-6(7)4-8-9/h4-5H,2-3,7H2,1H3
InChIKey:
DMDDBNVQWLCYMJ-UHFFFAOYSA-N

Cite this record

CBID:283100 http://www.chembase.cn/molecule-283100.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-propyl-1H-pyrazol-4-amine
IUPAC Traditional name
1-propylpyrazol-4-amine
Synonyms
1-propyl-1H-pyrazol-4-amine
CAS Number
1006483-43-7
MDL Number
MFCD04970183
PubChem SID
180668631
PubChem CID
19620834

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 19620834 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) 0.45147124 
LogD (pH = 7.4) 0.45150977  Log P 0.45151028 
Molar Refractivity 48.9344 cm3 Polarizability 13.716142 Å3
Polar Surface Area 43.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.53 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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