1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone

C9H14N2O — CID 82376195

IUPAC1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C9H14N2O/c1-6(2)8-5-9(7(3)12)11(4)10-8/h5-6H,1-4H3
InChIKeyRBUPGPSBWDCGOT-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.75
Rot. Bonds2

About 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone

1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone (PubChem CID 82376195) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone
PubChem CID82376195
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C9H14N2O/c1-6(2)8-5-9(7(3)12)11(4)10-8/h5-6H,1-4H3
InChIKeyRBUPGPSBWDCGOT-UHFFFAOYSA-N
XLogP1.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone (CID 82376195) is 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone is CC(=O)c1cc(C(C)C)nn1C.
What is the InChIKey of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone?
The InChIKey is RBUPGPSBWDCGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)8-5-9(7(3)12)11(4)10-8/h5-6H,1-4H3.
What are the key properties of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone?
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone is sourced from PubChem (CID 82376195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).