3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid

C10H16N2O2 — CID 3160220

IUPAC3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid
SMILESCc1nn(C(C)CC(=O)O)c(C)c1C
InChIInChI=1S/C10H16N2O2/c1-6(5-10(13)14)12-9(4)7(2)8(3)11-12/h6H,5H2,1-4H3,(H,13,14)
InChIKeyOZPVUHXYZAMXDY-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.84
Rot. Bonds3

About 3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid

3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid (PubChem CID 3160220) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid
PubChem CID3160220
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid
SMILESCc1nn(C(C)CC(=O)O)c(C)c1C
InChIInChI=1S/C10H16N2O2/c1-6(5-10(13)14)12-9(4)7(2)8(3)11-12/h6H,5H2,1-4H3,(H,13,14)
InChIKeyOZPVUHXYZAMXDY-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid?
The IUPAC name of 3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid (CID 3160220) is 3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid.
What is the SMILES notation for 3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid?
The canonical SMILES for 3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid is Cc1nn(C(C)CC(=O)O)c(C)c1C.
What is the InChIKey of 3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid?
The InChIKey is OZPVUHXYZAMXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(5-10(13)14)12-9(4)7(2)8(3)11-12/h6H,5H2,1-4H3,(H,13,14).
What are the key properties of 3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid?
3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethylpyrazol-1-yl)butanoic acid is sourced from PubChem (CID 3160220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).