2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid

C12H13N3O2 — CID 16771295

IUPAC2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid
SMILESCc1nn(-c2ccccn2)c(C)c1CC(=O)O
InChIInChI=1S/C12H13N3O2/c1-8-10(7-12(16)17)9(2)15(14-8)11-5-3-4-6-13-11/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyATNQFACEBKQXSB-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.51
Rot. Bonds3

About 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid

2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid (PubChem CID 16771295) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid
PubChem CID16771295
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid
SMILESCc1nn(-c2ccccn2)c(C)c1CC(=O)O
InChIInChI=1S/C12H13N3O2/c1-8-10(7-12(16)17)9(2)15(14-8)11-5-3-4-6-13-11/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyATNQFACEBKQXSB-UHFFFAOYSA-N
XLogP1.51
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid (CID 16771295) is 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid is Cc1nn(-c2ccccn2)c(C)c1CC(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid?
The InChIKey is ATNQFACEBKQXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-10(7-12(16)17)9(2)15(14-8)11-5-3-4-6-13-11/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid?
2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid has a molecular weight of 231.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 16771295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).