1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid

C19H13N5O2 — CID 56767679

IUPAC1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2cc(-c3ccccn3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C19H13N5O2/c25-19(26)15-9-11-24(23-15)17-12-16(14-8-4-5-10-20-14)21-18(22-17)13-6-2-1-3-7-13/h1-12H,(H,25,26)
InChIKeyIYFDEYDKBVIKKI-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.09
Rot. Bonds4

About 1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid

1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid (PubChem CID 56767679) has the molecular formula C19H13N5O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
PubChem CID56767679
Molecular FormulaC19H13N5O2
Molecular Weight343.35 g/mol
Exact Mass343.11
IUPAC Name1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2cc(-c3ccccn3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C19H13N5O2/c25-19(26)15-9-11-24(23-15)17-12-16(14-8-4-5-10-20-14)21-18(22-17)13-6-2-1-3-7-13/h1-12H,(H,25,26)
InChIKeyIYFDEYDKBVIKKI-UHFFFAOYSA-N
XLogP3.09
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid (CID 56767679) is 1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2cc(-c3ccccn3)nc(-c3ccccc3)n2)n1.
What is the InChIKey of 1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is IYFDEYDKBVIKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2/c25-19(26)15-9-11-24(23-15)17-12-16(14-8-4-5-10-20-14)21-18(22-17)13-6-2-1-3-7-13/h1-12H,(H,25,26).
What are the key properties of 1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 343.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 56767679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).