4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate

C15H9FN3O2- — CID 22037704

IUPAC4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate
SMILESO=C([O-])c1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C15H10FN3O2/c16-11-3-1-9(2-4-11)14-12(8-18-19-14)10-5-6-17-13(7-10)15(20)21/h1-8H,(H,18,19)(H,20,21)/p-1
InChIKeyIAYZAYOUOKQXJE-UHFFFAOYSA-M
MW282.25 g/mol
LogP1.64
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate

4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate (PubChem CID 22037704) has the molecular formula C15H9FN3O2- and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate
PubChem CID22037704
Molecular FormulaC15H9FN3O2-
Molecular Weight282.25 g/mol
Exact Mass282.07
IUPAC Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate
SMILESO=C([O-])c1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C15H10FN3O2/c16-11-3-1-9(2-4-11)14-12(8-18-19-14)10-5-6-17-13(7-10)15(20)21/h1-8H,(H,18,19)(H,20,21)/p-1
InChIKeyIAYZAYOUOKQXJE-UHFFFAOYSA-M
XLogP1.64
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate?
The IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate (CID 22037704) is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate is O=C([O-])c1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate?
The InChIKey is IAYZAYOUOKQXJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10FN3O2/c16-11-3-1-9(2-4-11)14-12(8-18-19-14)10-5-6-17-13(7-10)15(20)21/h1-8H,(H,18,19)(H,20,21)/p-1.
What are the key properties of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate?
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate has a molecular weight of 282.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 22037704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).