3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid

C10H16N2O2 — CID 1084875

IUPAC3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid
SMILESCCn1nc(C)c(CCC(=O)O)c1C
InChIInChI=1S/C10H16N2O2/c1-4-12-8(3)9(7(2)11-12)5-6-10(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyOZEFTAJPBHIZPZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.54
Rot. Bonds4

About 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid (PubChem CID 1084875) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid
PubChem CID1084875
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid
SMILESCCn1nc(C)c(CCC(=O)O)c1C
InChIInChI=1S/C10H16N2O2/c1-4-12-8(3)9(7(2)11-12)5-6-10(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyOZEFTAJPBHIZPZ-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid (CID 1084875) is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid is CCn1nc(C)c(CCC(=O)O)c1C.
What is the InChIKey of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid?
The InChIKey is OZEFTAJPBHIZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-12-8(3)9(7(2)11-12)5-6-10(13)14/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid?
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 1084875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).