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

C11H9FN2O2 — CID 70685564

IUPAC4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O2/c1-6-9(10(11(15)16)14-13-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyCLOZSEFXJPLFPL-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.22
Rot. Bonds2

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

4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 70685564) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID70685564
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O2/c1-6-9(10(11(15)16)14-13-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyCLOZSEFXJPLFPL-UHFFFAOYSA-N
XLogP2.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid (CID 70685564) is 4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is CLOZSEFXJPLFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-6-9(10(11(15)16)14-13-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 70685564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).