3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid

C12H20N2O2 — CID 105482258

IUPAC3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid
SMILESCCc1cc(CC(C)C(=O)O)nn1C(C)C
InChIInChI=1S/C12H20N2O2/c1-5-11-7-10(6-9(4)12(15)16)13-14(11)8(2)3/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyVEPAOFFJFRZDBU-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.29
Rot. Bonds5

About 3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid

3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid (PubChem CID 105482258) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid
PubChem CID105482258
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid
SMILESCCc1cc(CC(C)C(=O)O)nn1C(C)C
InChIInChI=1S/C12H20N2O2/c1-5-11-7-10(6-9(4)12(15)16)13-14(11)8(2)3/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyVEPAOFFJFRZDBU-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid (CID 105482258) is 3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid is CCc1cc(CC(C)C(=O)O)nn1C(C)C.
What is the InChIKey of 3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid?
The InChIKey is VEPAOFFJFRZDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-11-7-10(6-9(4)12(15)16)13-14(11)8(2)3/h7-9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid?
3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid has a molecular weight of 224.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 105482258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).