3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid

C12H18N2O2 — CID 105479319

IUPAC3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid
SMILESCC(Cc1cnn(C)c1C1CCC1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-8(12(15)16)6-10-7-13-14(2)11(10)9-4-3-5-9/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyVHYHMQXBGSBCHX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.95
Rot. Bonds4

About 3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid

3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid (PubChem CID 105479319) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid
PubChem CID105479319
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid
SMILESCC(Cc1cnn(C)c1C1CCC1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-8(12(15)16)6-10-7-13-14(2)11(10)9-4-3-5-9/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyVHYHMQXBGSBCHX-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid (CID 105479319) is 3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid is CC(Cc1cnn(C)c1C1CCC1)C(=O)O.
What is the InChIKey of 3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid?
The InChIKey is VHYHMQXBGSBCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(12(15)16)6-10-7-13-14(2)11(10)9-4-3-5-9/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid?
3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 105479319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).