1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid

C16H10N4O2 — CID 82370945

IUPAC1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid
SMILESN#Cc1ccccc1-n1nc(-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C16H10N4O2/c17-10-12-3-1-2-4-14(12)20-15(16(21)22)9-13(19-20)11-5-7-18-8-6-11/h1-9H,(H,21,22)
InChIKeyICPVYDMWOHYXBG-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.50
Rot. Bonds3

About 1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid

1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid (PubChem CID 82370945) has the molecular formula C16H10N4O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid
PubChem CID82370945
Molecular FormulaC16H10N4O2
Molecular Weight290.28 g/mol
Exact Mass290.08
IUPAC Name1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid
SMILESN#Cc1ccccc1-n1nc(-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C16H10N4O2/c17-10-12-3-1-2-4-14(12)20-15(16(21)22)9-13(19-20)11-5-7-18-8-6-11/h1-9H,(H,21,22)
InChIKeyICPVYDMWOHYXBG-UHFFFAOYSA-N
XLogP2.50
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid (CID 82370945) is 1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid is N#Cc1ccccc1-n1nc(-c2ccncc2)cc1C(=O)O.
What is the InChIKey of 1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid?
The InChIKey is ICPVYDMWOHYXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2/c17-10-12-3-1-2-4-14(12)20-15(16(21)22)9-13(19-20)11-5-7-18-8-6-11/h1-9H,(H,21,22).
What are the key properties of 1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid?
1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 82370945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).