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MFCD11574374 molecular structure
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5-amino-1-(pyridin-4-yl)-1H-pyrazole-4-carboxamide

ChemBase ID: 270491
Molecular Formular: C9H9N5O
Molecular Mass: 203.20066
Monoisotopic Mass: 203.08070993
SMILES and InChIs

SMILES:
c1(c(cnn1c1ccncc1)C(=O)N)N
Canonical SMILES:
NC(=O)c1cnn(c1N)c1ccncc1
InChI:
InChI=1S/C9H9N5O/c10-8-7(9(11)15)5-13-14(8)6-1-3-12-4-2-6/h1-5H,10H2,(H2,11,15)
InChIKey:
SZDYTBKYBFKZIY-UHFFFAOYSA-N

Cite this record

CBID:270491 http://www.chembase.cn/molecule-270491.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-amino-1-(pyridin-4-yl)-1H-pyrazole-4-carboxamide
IUPAC Traditional name
5-amino-1-(pyridin-4-yl)pyrazole-4-carboxamide
Synonyms
5-amino-1-(pyridin-4-yl)-1H-pyrazole-4-carboxamide
MDL Number
MFCD11574374
PubChem SID
164326401
PubChem CID
28908876

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69393 external link Add to cart Please log in.
Data Source Data ID
PubChem 28908876 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.262938  H Acceptors
H Donor LogD (pH = 5.5) -1.3265183 
LogD (pH = 7.4) -0.61308146  Log P -0.39760277 
Molar Refractivity 55.2949 cm3 Polarizability 20.498755 Å3
Polar Surface Area 99.82 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.604 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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