1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid

C11H8F2N2O2 — CID 105421480

IUPAC1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1cc(F)ccc1F
InChIInChI=1S/C11H8F2N2O2/c1-6-4-9(11(16)17)14-15(6)10-5-7(12)2-3-8(10)13/h2-5H,1H3,(H,16,17)
InChIKeyFFSKOKUXKBPYSY-UHFFFAOYSA-N
MW238.19 g/mol
LogP2.16
Rot. Bonds2

About 1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid

1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 105421480) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid
PubChem CID105421480
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1cc(F)ccc1F
InChIInChI=1S/C11H8F2N2O2/c1-6-4-9(11(16)17)14-15(6)10-5-7(12)2-3-8(10)13/h2-5H,1H3,(H,16,17)
InChIKeyFFSKOKUXKBPYSY-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxylic acid
CID 107645273
1-(2,5-difluorophenyl)pyrazole-3-carboxylic acid
CID 43363474
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421473
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421466
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
1-(2,6-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82081789
1-[2-(difluoromethoxy)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421474
1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421500
1-(2-bromo-4-methylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82094448
1-(5-bromo-2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43556030
5-tert-butyl-1-(2,5-difluorophenyl)triazole-4-carboxylic acid
CID 43173558
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid (CID 105421480) is 1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1-c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is FFSKOKUXKBPYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c1-6-4-9(11(16)17)14-15(6)10-5-7(12)2-3-8(10)13/h2-5H,1H3,(H,16,17).
What are the key properties of 1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid?
1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 238.19 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 105421480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).