3-(4-Fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 6498679CAS 943863-70-5

Completing data — usually done within a minute

Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1nc(-c2ccc(F)cc2)cc1C(=O)O
InChIKey
BHZCZCULAVSPQF-UHFFFAOYSA-N
Molecular formula
C11H9FN2O2
Average molar mass
220.2 g/mol

Names & identifiers

Preferred name
3-(4-Fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
English name
3-(4-Fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
Molecular formula
C11H9FN2O2
Molecular weight
220.2

Names & synonyms

5-(4-fluorophenyl)-2-methyl-pyrazole-3-carboxylic acid3-(4-Fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid1-methyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid5-(4-FLUORO-PHENYL)-2-METHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID1H-Pyrazole-5-carboxylic acid, 3-(4-fluorophenyl)-1-methyl-

Database identifiers

CAS
943863-70-5
PubChem CID
6498679
ChEMBL
CHEMBL1322971
EC Number
841-403-9

Properties

Physicochemical properties

Boiling point
415.3 · 415.3±35.0 °C(Predicted)
Density
1.33 · 1.33±0.1 g/cm3(Predicted)
pka
2.9 · 2.90±0.25(Predicted)
form
solid
InChI
1S/C11H9FN2O2/c1-14-10(11(15)16)6-9(13-14)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16)
InChIKey
BHZCZCULAVSPQF-UHFFFAOYSA-N

Safety & regulation

Safety data

wgk
WGK 3
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Storage Class
11 - Combustible Solids

Chemistry & industry

Suppliers21 total

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Linked notes

Loading…