5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid

C11H9FN2O2 — CID 62268890

IUPAC5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccccc1F
InChIInChI=1S/C11H9FN2O2/c1-14-10(6-9(13-14)11(15)16)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,15,16)
InChIKeyMZVJCBWPQNQNPI-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.92
Rot. Bonds2

About 5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid

5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 62268890) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID62268890
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccccc1F
InChIInChI=1S/C11H9FN2O2/c1-14-10(6-9(13-14)11(15)16)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,15,16)
InChIKeyMZVJCBWPQNQNPI-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4,5-difluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136942334
5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 117373137
5-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-1-methylpyrazole-3-carboxylic acid
CID 135547041
5-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108157
5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108326
1-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazole-3-carboxylic acid
CID 115111505
5-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 117449714
1-methyl-5-[2-(2,2,2-trifluoroethyl)phenyl]pyrazole-3-carboxylic acid
CID 117457489
5-(2,3-difluoro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117383215
5-(2-fluoro-3-methylsulfonylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117480723
5-(3,5-difluoro-2-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117383221
5-(2-chloro-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117380089

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid (CID 62268890) is 5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is MZVJCBWPQNQNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-14-10(6-9(13-14)11(15)16)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,15,16).
What are the key properties of 5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid?
5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 62268890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).