1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid

C12H11N3O3 — CID 137450423

IUPAC1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(-c2ccn(C3CC3)n2)c1=O
InChIInChI=1S/C12H11N3O3/c16-11-9(12(17)18)2-1-6-14(11)10-5-7-15(13-10)8-3-4-8/h1-2,5-8H,3-4H2,(H,17,18)
InChIKeyRQDAGXBAIUTPTR-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.07
Rot. Bonds3

About 1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid

1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid (PubChem CID 137450423) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid
PubChem CID137450423
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(-c2ccn(C3CC3)n2)c1=O
InChIInChI=1S/C12H11N3O3/c16-11-9(12(17)18)2-1-6-14(11)10-5-7-15(13-10)8-3-4-8/h1-2,5-8H,3-4H2,(H,17,18)
InChIKeyRQDAGXBAIUTPTR-UHFFFAOYSA-N
XLogP1.07
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid (CID 137450423) is 1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(-c2ccn(C3CC3)n2)c1=O.
What is the InChIKey of 1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is RQDAGXBAIUTPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c16-11-9(12(17)18)2-1-6-14(11)10-5-7-15(13-10)8-3-4-8/h1-2,5-8H,3-4H2,(H,17,18).
What are the key properties of 1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid?
1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 137450423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).