2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid

C11H10N4O3 — CID 135318152

IUPAC2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid
SMILESNC(=O)c1cc(-c2cccnc2)n(CC(=O)O)n1
InChIInChI=1S/C11H10N4O3/c12-11(18)8-4-9(7-2-1-3-13-5-7)15(14-8)6-10(16)17/h1-5H,6H2,(H2,12,18)(H,16,17)
InChIKeyFWKMBCUQNOOLCY-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.13
Rot. Bonds4

About 2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid

2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid (PubChem CID 135318152) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid
PubChem CID135318152
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid
SMILESNC(=O)c1cc(-c2cccnc2)n(CC(=O)O)n1
InChIInChI=1S/C11H10N4O3/c12-11(18)8-4-9(7-2-1-3-13-5-7)15(14-8)6-10(16)17/h1-5H,6H2,(H2,12,18)(H,16,17)
InChIKeyFWKMBCUQNOOLCY-UHFFFAOYSA-N
XLogP0.13
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid (CID 135318152) is 2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid is NC(=O)c1cc(-c2cccnc2)n(CC(=O)O)n1.
What is the InChIKey of 2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid?
The InChIKey is FWKMBCUQNOOLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-11(18)8-4-9(7-2-1-3-13-5-7)15(14-8)6-10(16)17/h1-5H,6H2,(H2,12,18)(H,16,17).
What are the key properties of 2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid?
2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid has a molecular weight of 246.23 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 135318152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).