3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid

C12H18N2O2 — CID 105479284

IUPAC3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid
SMILESCCn1nc(CCC(=O)O)cc1C1CCC1
InChIInChI=1S/C12H18N2O2/c1-2-14-11(9-4-3-5-9)8-10(13-14)6-7-12(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyXLSHEXQACYBPRT-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.19
Rot. Bonds5

About 3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid

3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid (PubChem CID 105479284) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid
PubChem CID105479284
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid
SMILESCCn1nc(CCC(=O)O)cc1C1CCC1
InChIInChI=1S/C12H18N2O2/c1-2-14-11(9-4-3-5-9)8-10(13-14)6-7-12(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyXLSHEXQACYBPRT-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone
CID 105459511
1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine
CID 105461054
4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine
CID 142020526
1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanamine
CID 105461050
3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid
CID 66121181
3-[5-(1-methylpiperidin-4-yl)pyrazin-2-yl]propanoic acid
CID 73439559
3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid
CID 95804870
4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid
CID 84699542
3-(5-bromo-1-methylpyrazol-3-yl)propanoic acid
CID 84726762
(5-cyclobutyl-1-methylpyrazol-3-yl)methanol
CID 164719502
2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid
CID 83847445
3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]propanoic acid
CID 66509805

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid?
The IUPAC name of 3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid (CID 105479284) is 3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid is CCn1nc(CCC(=O)O)cc1C1CCC1.
What is the InChIKey of 3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid?
The InChIKey is XLSHEXQACYBPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-14-11(9-4-3-5-9)8-10(13-14)6-7-12(15)16/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid?
3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid has a molecular weight of 222.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 105479284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).