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25660-61-1 molecular structure
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2-(1H-pyrazol-1-yl)benzamide

ChemBase ID: 806429
Molecular Formular: C10H9N3O
Molecular Mass: 187.19796
Monoisotopic Mass: 187.07456192
SMILES and InChIs

SMILES:
c1(c(cccc1)n1nccc1)C(=O)N
Canonical SMILES:
NC(=O)c1ccccc1n1cccn1
InChI:
InChI=1S/C10H9N3O/c11-10(14)8-4-1-2-5-9(8)13-7-3-6-12-13/h1-7H,(H2,11,14)
InChIKey:
FMQXTGYSIGNCPG-UHFFFAOYSA-N

Cite this record

CBID:806429 http://www.chembase.cn/molecule-806429.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1H-pyrazol-1-yl)benzamide
IUPAC Traditional name
2-(pyrazol-1-yl)benzamide
Synonyms
2-(1H-PYRAZOL-1-YL)BENZAMIDE
CAS Number
25660-61-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24072 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24072 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.679651  H Acceptors
H Donor LogD (pH = 5.5) 0.9096481 
LogD (pH = 7.4) 0.9097039  Log P 0.9097046 
Molar Refractivity 53.4981 cm3 Polarizability 20.239367 Å3
Polar Surface Area 60.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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