2-(1,3,5-triethylpyrazol-4-yl)acetic acid

C11H18N2O2 — CID 79219134

IUPAC2-(1,3,5-triethylpyrazol-4-yl)acetic acid
SMILESCCc1nn(CC)c(CC)c1CC(=O)O
InChIInChI=1S/C11H18N2O2/c1-4-9-8(7-11(14)15)10(5-2)13(6-3)12-9/h4-7H2,1-3H3,(H,14,15)
InChIKeyIRCCIFDWLSXYTO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.65
Rot. Bonds5

About 2-(1,3,5-triethylpyrazol-4-yl)acetic acid

2-(1,3,5-triethylpyrazol-4-yl)acetic acid (PubChem CID 79219134) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(1,3,5-triethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3,5-triethylpyrazol-4-yl)acetic acid
PubChem CID79219134
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(1,3,5-triethylpyrazol-4-yl)acetic acid
SMILESCCc1nn(CC)c(CC)c1CC(=O)O
InChIInChI=1S/C11H18N2O2/c1-4-9-8(7-11(14)15)10(5-2)13(6-3)12-9/h4-7H2,1-3H3,(H,14,15)
InChIKeyIRCCIFDWLSXYTO-UHFFFAOYSA-N
XLogP1.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-triethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1,3,5-triethylpyrazol-4-yl)acetic acid (CID 79219134) is 2-(1,3,5-triethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1,3,5-triethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1,3,5-triethylpyrazol-4-yl)acetic acid is CCc1nn(CC)c(CC)c1CC(=O)O.
What is the InChIKey of 2-(1,3,5-triethylpyrazol-4-yl)acetic acid?
The InChIKey is IRCCIFDWLSXYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-9-8(7-11(14)15)10(5-2)13(6-3)12-9/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-(1,3,5-triethylpyrazol-4-yl)acetic acid?
2-(1,3,5-triethylpyrazol-4-yl)acetic acid has a molecular weight of 210.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-triethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 79219134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).