2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid

C10H8N4O3 — CID 64782904

IUPAC2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESNC(=O)c1cnn(-c2ncccc2C(=O)O)c1
InChIInChI=1S/C10H8N4O3/c11-8(15)6-4-13-14(5-6)9-7(10(16)17)2-1-3-12-9/h1-5H,(H2,11,15)(H,16,17)
InChIKeyGVCPQZJEXFQQGE-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.06
Rot. Bonds3

About 2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid

2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 64782904) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid
PubChem CID64782904
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESNC(=O)c1cnn(-c2ncccc2C(=O)O)c1
InChIInChI=1S/C10H8N4O3/c11-8(15)6-4-13-14(5-6)9-7(10(16)17)2-1-3-12-9/h1-5H,(H2,11,15)(H,16,17)
InChIKeyGVCPQZJEXFQQGE-UHFFFAOYSA-N
XLogP0.06
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid (CID 64782904) is 2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid is NC(=O)c1cnn(-c2ncccc2C(=O)O)c1.
What is the InChIKey of 2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is GVCPQZJEXFQQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c11-8(15)6-4-13-14(5-6)9-7(10(16)17)2-1-3-12-9/h1-5H,(H2,11,15)(H,16,17).
What are the key properties of 2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid?
2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 64782904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).