1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid

C15H10FN3O2 — CID 18676095

IUPAC1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C15H10FN3O2/c16-11-1-3-12(4-2-11)19-14(10-5-7-17-8-6-10)13(9-18-19)15(20)21/h1-9H,(H,20,21)
InChIKeyHDVODUBFZDZRFI-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid

1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid (PubChem CID 18676095) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid
PubChem CID18676095
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C15H10FN3O2/c16-11-1-3-12(4-2-11)19-14(10-5-7-17-8-6-10)13(9-18-19)15(20)21/h1-9H,(H,20,21)
InChIKeyHDVODUBFZDZRFI-UHFFFAOYSA-N
XLogP2.77
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid (CID 18676095) is 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid?
The InChIKey is HDVODUBFZDZRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-11-1-3-12(4-2-11)19-14(10-5-7-17-8-6-10)13(9-18-19)15(20)21/h1-9H,(H,20,21).
What are the key properties of 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid?
1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid has a molecular weight of 283.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 18676095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).