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957261-73-3 molecular structure
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4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide

ChemBase ID: 18371
Molecular Formular: C6H10N4O
Molecular Mass: 154.1698
Monoisotopic Mass: 154.08546096
SMILES and InChIs

SMILES:
c1(n(ncc1N)C)C(=O)NC
Canonical SMILES:
CNC(=O)c1c(N)cnn1C
InChI:
InChI=1S/C6H10N4O/c1-8-6(11)5-4(7)3-9-10(5)2/h3H,7H2,1-2H3,(H,8,11)
InChIKey:
SSNDECQBXILCBG-UHFFFAOYSA-N

Cite this record

CBID:18371 http://www.chembase.cn/molecule-18371.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
IUPAC Traditional name
4-amino-N,2-dimethylpyrazole-3-carboxamide
Synonyms
4-Amino-2-methyl-2H-pyrazole-3-carboxylic acid methylamide
4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CAS Number
957261-73-3
MDL Number
MFCD04969409
PubChem SID
160981678
PubChem CID
6485370

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6485370 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.539315  H Acceptors
H Donor LogD (pH = 5.5) -0.78350633 
LogD (pH = 7.4) -0.78350264  Log P -0.7835026 
Molar Refractivity 53.5144 cm3 Polarizability 14.786991 Å3
Polar Surface Area 72.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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