3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid

C11H9FN2O2 — CID 6498679

IUPAC3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)O
InChIInChI=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)
InChIKeyBHZCZCULAVSPQF-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.92
Rot. Bonds2

About 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid

3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 6498679) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid
PubChem CID6498679
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)O
InChIInChI=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)
InChIKeyBHZCZCULAVSPQF-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid (CID 6498679) is 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid is Cn1nc(-c2ccc(F)cc2)cc1C(=O)O.
What is the InChIKey of 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is BHZCZCULAVSPQF-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid?
3-(4-fluorophenyl)-1-methylpyrazole-5-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 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 6498679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).