5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid

C16H12FN3O3 — CID 23090109

IUPAC5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2F)cn1
InChIInChI=1S/C16H12FN3O3/c1-23-15-7-6-10(9-18-15)20-14(8-13(19-20)16(21)22)11-4-2-3-5-12(11)17/h2-9H,1H3,(H,21,22)
InChIKeyJGCWKIROWDACMF-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.78
Rot. Bonds4

About 5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid

5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid (PubChem CID 23090109) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
PubChem CID23090109
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2F)cn1
InChIInChI=1S/C16H12FN3O3/c1-23-15-7-6-10(9-18-15)20-14(8-13(19-20)16(21)22)11-4-2-3-5-12(11)17/h2-9H,1H3,(H,21,22)
InChIKeyJGCWKIROWDACMF-UHFFFAOYSA-N
XLogP2.78
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid (CID 23090109) is 5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2F)cn1.
What is the InChIKey of 5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid?
The InChIKey is JGCWKIROWDACMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c1-23-15-7-6-10(9-18-15)20-14(8-13(19-20)16(21)22)11-4-2-3-5-12(11)17/h2-9H,1H3,(H,21,22).
What are the key properties of 5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid?
5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid has a molecular weight of 313.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 23090109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).