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

C11H12N4O2 — CID 43531782

IUPAC2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid
SMILESCc1nn(-c2ncccn2)c(C)c1CC(=O)O
InChIInChI=1S/C11H12N4O2/c1-7-9(6-10(16)17)8(2)15(14-7)11-12-4-3-5-13-11/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyZXTTWLOMRKIRSF-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.91
Rot. Bonds3

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

2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid (PubChem CID 43531782) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid
PubChem CID43531782
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid
SMILESCc1nn(-c2ncccn2)c(C)c1CC(=O)O
InChIInChI=1S/C11H12N4O2/c1-7-9(6-10(16)17)8(2)15(14-7)11-12-4-3-5-13-11/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyZXTTWLOMRKIRSF-UHFFFAOYSA-N
XLogP0.91
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid (CID 43531782) is 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid is Cc1nn(-c2ncccn2)c(C)c1CC(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid?
The InChIKey is ZXTTWLOMRKIRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-9(6-10(16)17)8(2)15(14-7)11-12-4-3-5-13-11/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid?
2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid has a molecular weight of 232.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 43531782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).