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61255-82-1 molecular structure
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3-methyl-1-propyl-1H-pyrazol-5-amine

ChemBase ID: 14942
Molecular Formular: C7H13N3
Molecular Mass: 139.19822
Monoisotopic Mass: 139.11094743
SMILES and InChIs

SMILES:
n1(c(cc(n1)C)N)CCC
Canonical SMILES:
CCCn1nc(cc1N)C
InChI:
InChI=1S/C7H13N3/c1-3-4-10-7(8)5-6(2)9-10/h5H,3-4,8H2,1-2H3
InChIKey:
MTCLLJFZYXMFAX-UHFFFAOYSA-N

Cite this record

CBID:14942 http://www.chembase.cn/molecule-14942.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-1-propyl-1H-pyrazol-5-amine
IUPAC Traditional name
5-methyl-2-propylpyrazol-3-amine
Synonyms
5-Methyl-2-propyl-2H-pyrazol-3-ylamine
3-methyl-1-propyl-1H-pyrazol-5-amine
3-(5-AMino-3-Methyl-1H-pyrazol-1-yl)propane
CAS Number
61255-82-1
3524-34-3
MDL Number
MFCD05237221
PubChem SID
160978249
PubChem CID
1094292

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1094292 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6442777  LogD (pH = 7.4) 0.6718089 
Log P 0.6721715  Molar Refractivity 52.7792 cm3
Polarizability 15.474102 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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