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43024-15-3 molecular structure
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4-ethyl-1H-pyrazol-3-amine

ChemBase ID: 90476
Molecular Formular: C5H9N3
Molecular Mass: 111.14506
Monoisotopic Mass: 111.0796473
SMILES and InChIs

SMILES:
n1c(c(c[nH]1)CC)N
Canonical SMILES:
CCc1c[nH]nc1N
InChI:
InChI=1S/C5H9N3/c1-2-4-3-7-8-5(4)6/h3H,2H2,1H3,(H3,6,7,8)
InChIKey:
RDCODVKTTJWFAR-UHFFFAOYSA-N

Cite this record

CBID:90476 http://www.chembase.cn/molecule-90476.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethyl-1H-pyrazol-3-amine
IUPAC Traditional name
4-ethyl-1H-pyrazol-3-amine
Synonyms
4-Ethyl-1H-pyrazol-3-amine
3-Amino-4-ethyl-1H-pyrazole
4-ethyl-1H-pyrazol-3-amine
3-AMINO-4-ETHYLPYRAZOLE
CAS Number
43024-15-3
MDL Number
MFCD06797570
PubChem SID
162077281
PubChem CID
11789157

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.48712  H Acceptors
H Donor LogD (pH = 5.5) 0.9912524 
LogD (pH = 7.4) 1.000828  Log P 1.0009514 
Molar Refractivity 34.4015 cm3 Polarizability 11.873324 Å3
Polar Surface Area 54.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.612 expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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