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MFCD09702199 molecular structure
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4-amino-5-ethyl-1H-pyrazole-3-carboxamide

ChemBase ID: 280178
Molecular Formular: C6H10N4O
Molecular Mass: 154.1698
Monoisotopic Mass: 154.08546096
SMILES and InChIs

SMILES:
c1(n[nH]c(c1N)CC)C(=O)N
Canonical SMILES:
CCc1[nH]nc(c1N)C(=O)N
InChI:
InChI=1S/C6H10N4O/c1-2-3-4(7)5(6(8)11)10-9-3/h2,7H2,1H3,(H2,8,11)(H,9,10)
InChIKey:
YIAXJRMRAWYVOG-UHFFFAOYSA-N

Cite this record

CBID:280178 http://www.chembase.cn/molecule-280178.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-5-ethyl-1H-pyrazole-3-carboxamide
IUPAC Traditional name
4-amino-5-ethyl-1H-pyrazole-3-carboxamide
Synonyms
4-amino-5-ethyl-1H-pyrazole-3-carboxamide
MDL Number
MFCD09702199
PubChem SID
180665709
PubChem CID
16228836

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87265 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228836 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.421964  H Acceptors
H Donor LogD (pH = 5.5) 0.05707633 
LogD (pH = 7.4) 0.057078533  Log P 0.05707819 
Molar Refractivity 42.8259 cm3 Polarizability 14.790521 Å3
Polar Surface Area 97.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.067 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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