4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid

C20H14N4O2 — CID 45487437

IUPAC4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C20H14N4O2/c25-20(26)14-6-4-13(5-7-14)18-11-15(8-10-22-18)16-12-23-24-19(16)17-3-1-2-9-21-17/h1-12H,(H,23,24)(H,25,26)
InChIKeyWAYZFSAJPAKLSW-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.90
Rot. Bonds4

About 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid

4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid (PubChem CID 45487437) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid
PubChem CID45487437
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C20H14N4O2/c25-20(26)14-6-4-13(5-7-14)18-11-15(8-10-22-18)16-12-23-24-19(16)17-3-1-2-9-21-17/h1-12H,(H,23,24)(H,25,26)
InChIKeyWAYZFSAJPAKLSW-UHFFFAOYSA-N
XLogP3.90
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid?
The IUPAC name of 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid (CID 45487437) is 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid?
The canonical SMILES for 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid is O=C(O)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1.
What is the InChIKey of 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid?
The InChIKey is WAYZFSAJPAKLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-20(26)14-6-4-13(5-7-14)18-11-15(8-10-22-18)16-12-23-24-19(16)17-3-1-2-9-21-17/h1-12H,(H,23,24)(H,25,26).
What are the key properties of 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid?
4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid has a molecular weight of 342.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoic acid is sourced from PubChem (CID 45487437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).