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1177300-40-1 molecular structure
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3-(1H-pyrazol-1-yl)propanehydrazide

ChemBase ID: 57817
Molecular Formular: C6H10N4O
Molecular Mass: 154.1698
Monoisotopic Mass: 154.08546096
SMILES and InChIs

SMILES:
n1(cccn1)CCC(=O)NN
Canonical SMILES:
NNC(=O)CCn1cccn1
InChI:
InChI=1S/C6H10N4O/c7-9-6(11)2-5-10-4-1-3-8-10/h1,3-4H,2,5,7H2,(H,9,11)
InChIKey:
XNZLTYISUNMPET-UHFFFAOYSA-N

Cite this record

CBID:57817 http://www.chembase.cn/molecule-57817.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(1H-pyrazol-1-yl)propanehydrazide
IUPAC Traditional name
3-(pyrazol-1-yl)propanehydrazide
Synonyms
3-(1H-Pyrazol-1-yl)propanohydrazide
CAS Number
1177300-40-1
MDL Number
MFCD12030827
PubChem SID
162062580
PubChem CID
45791259

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
062994 external link Add to cart Please log in.
Data Source Data ID
PubChem 45791259 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.4410305  H Acceptors
H Donor LogD (pH = 5.5) -0.9899888 
LogD (pH = 7.4) -0.98735386  Log P -0.98731637 
Molar Refractivity 52.0517 cm3 Polarizability 15.333361 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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