3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid

C11H6FN3O2 — CID 82390743

IUPAC3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid
SMILESN#Cc1cc(C(=O)O)n(-c2ccccc2F)n1
InChIInChI=1S/C11H6FN3O2/c12-8-3-1-2-4-9(8)15-10(11(16)17)5-7(6-13)14-15/h1-5H,(H,16,17)
InChIKeyVRANLTQOURHADI-UHFFFAOYSA-N
MW231.19 g/mol
LogP1.58
Rot. Bonds2

About 3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid

3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid (PubChem CID 82390743) has the molecular formula C11H6FN3O2 and a molecular weight of 231.19 g/mol. Its IUPAC name is 3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid
PubChem CID82390743
Molecular FormulaC11H6FN3O2
Molecular Weight231.19 g/mol
Exact Mass231.04
IUPAC Name3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid
SMILESN#Cc1cc(C(=O)O)n(-c2ccccc2F)n1
InChIInChI=1S/C11H6FN3O2/c12-8-3-1-2-4-9(8)15-10(11(16)17)5-7(6-13)14-15/h1-5H,(H,16,17)
InChIKeyVRANLTQOURHADI-UHFFFAOYSA-N
XLogP1.58
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-1-(4-fluorophenyl)pyrazole-5-carboxylic acid
CID 82390742
1-(2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82376265
1-(2-fluorophenyl)pyrazole-3-carbonitrile
CID 116818280
1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82370945
1-(2-fluorophenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 60725596
5-amino-1-(2-fluorophenyl)-3-methylpyrazole-4-carboxylic acid
CID 71044411
5-(chloromethyl)-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 164580458
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid
CID 812149
1-(2-fluorophenyl)-5-pyridin-3-ylpyrazole-4-carboxylic acid
CID 82361520
4-[amino-[(1Z)-4-[2-(2-fluorophenyl)pyrazol-3-yl]-3-oxopenta-1,4-dienyl]amino]pyridine-2-carbonitrile
CID 70222872
4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid
CID 83868932
3-(2-fluorophenyl)triazole-4-carbonitrile
CID 84661292

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid (CID 82390743) is 3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid is N#Cc1cc(C(=O)O)n(-c2ccccc2F)n1.
What is the InChIKey of 3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid?
The InChIKey is VRANLTQOURHADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O2/c12-8-3-1-2-4-9(8)15-10(11(16)17)5-7(6-13)14-15/h1-5H,(H,16,17).
What are the key properties of 3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid?
3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid has a molecular weight of 231.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 82390743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).