5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid

C9H7N3O2 — CID 28948772

IUPAC5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1ccccn1
InChIInChI=1S/C9H7N3O2/c13-9(14)6-5-11-12-8(6)7-3-1-2-4-10-7/h1-5H,(H,11,12)(H,13,14)
InChIKeyRFDVZGCYQXPQJO-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.17
Rot. Bonds2

About 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid

5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid (PubChem CID 28948772) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid
PubChem CID28948772
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1ccccn1
InChIInChI=1S/C9H7N3O2/c13-9(14)6-5-11-12-8(6)7-3-1-2-4-10-7/h1-5H,(H,11,12)(H,13,14)
InChIKeyRFDVZGCYQXPQJO-UHFFFAOYSA-N
XLogP1.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid (CID 28948772) is 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1-c1ccccn1.
What is the InChIKey of 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid?
The InChIKey is RFDVZGCYQXPQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-9(14)6-5-11-12-8(6)7-3-1-2-4-10-7/h1-5H,(H,11,12)(H,13,14).
What are the key properties of 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid?
5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 28948772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).