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MFCD07437052 molecular structure
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3,5-dimethyl-1H-pyrazole-4-carbohydrazide

ChemBase ID: 71819
Molecular Formular: C6H10N4O
Molecular Mass: 154.1698
Monoisotopic Mass: 154.08546096
SMILES and InChIs

SMILES:
[nH]1c(c(c(n1)C)C(=O)NN)C
Canonical SMILES:
NNC(=O)c1c(C)n[nH]c1C
InChI:
InChI=1S/C6H10N4O/c1-3-5(6(11)8-7)4(2)10-9-3/h7H2,1-2H3,(H,8,11)(H,9,10)
InChIKey:
ICEOTPBVZRLJES-UHFFFAOYSA-N

Cite this record

CBID:71819 http://www.chembase.cn/molecule-71819.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dimethyl-1H-pyrazole-4-carbohydrazide
IUPAC Traditional name
3,5-dimethyl-1H-pyrazole-4-carbohydrazide
Synonyms
3,5-Dimethyl-1H-pyrazole-4-carbohydrazide
MDL Number
MFCD07437052
PubChem SID
162103750
PubChem CID
43583235

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 43583235 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.946349  H Acceptors
H Donor LogD (pH = 5.5) -0.83881724 
LogD (pH = 7.4) -0.8376331  Log P -0.8374741 
Molar Refractivity 43.0491 cm3 Polarizability 14.983171 Å3
Polar Surface Area 83.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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