1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid

C14H10N4O2 — CID 2999822

IUPAC1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)nn1-c1ccccn1
InChIInChI=1S/C14H10N4O2/c19-14(20)12-8-11(10-4-3-6-15-9-10)17-18(12)13-5-1-2-7-16-13/h1-9H,(H,19,20)
InChIKeyZCXWTMANSBVGFQ-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.03
Rot. Bonds3

About 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid

1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid (PubChem CID 2999822) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid
PubChem CID2999822
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)nn1-c1ccccn1
InChIInChI=1S/C14H10N4O2/c19-14(20)12-8-11(10-4-3-6-15-9-10)17-18(12)13-5-1-2-7-16-13/h1-9H,(H,19,20)
InChIKeyZCXWTMANSBVGFQ-UHFFFAOYSA-N
XLogP2.03
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid (CID 2999822) is 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cccnc2)nn1-c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid?
The InChIKey is ZCXWTMANSBVGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-14(20)12-8-11(10-4-3-6-15-9-10)17-18(12)13-5-1-2-7-16-13/h1-9H,(H,19,20).
What are the key properties of 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid?
1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 2999822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).