1-(3-methylpyrazol-1-yl)propan-2-one

C7H10N2O — CID 7017707

IUPAC1-(3-methylpyrazol-1-yl)propan-2-one
SMILESCC(=O)Cn1ccc(C)n1
InChIInChI=1S/C7H10N2O/c1-6-3-4-9(8-6)5-7(2)10/h3-4H,5H2,1-2H3
InChIKeyXDMSPPHMAZVVAT-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.78
Rot. Bonds2

About 1-(3-methylpyrazol-1-yl)propan-2-one

1-(3-methylpyrazol-1-yl)propan-2-one (PubChem CID 7017707) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(3-methylpyrazol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-methylpyrazol-1-yl)propan-2-one
PubChem CID7017707
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(3-methylpyrazol-1-yl)propan-2-one
SMILESCC(=O)Cn1ccc(C)n1
InChIInChI=1S/C7H10N2O/c1-6-3-4-9(8-6)5-7(2)10/h3-4H,5H2,1-2H3
InChIKeyXDMSPPHMAZVVAT-UHFFFAOYSA-N
XLogP0.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrazol-1-yl)propan-2-one?
The IUPAC name of 1-(3-methylpyrazol-1-yl)propan-2-one (CID 7017707) is 1-(3-methylpyrazol-1-yl)propan-2-one.
What is the SMILES notation for 1-(3-methylpyrazol-1-yl)propan-2-one?
The canonical SMILES for 1-(3-methylpyrazol-1-yl)propan-2-one is CC(=O)Cn1ccc(C)n1.
What is the InChIKey of 1-(3-methylpyrazol-1-yl)propan-2-one?
The InChIKey is XDMSPPHMAZVVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-6-3-4-9(8-6)5-7(2)10/h3-4H,5H2,1-2H3.
What are the key properties of 1-(3-methylpyrazol-1-yl)propan-2-one?
1-(3-methylpyrazol-1-yl)propan-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrazol-1-yl)propan-2-one is sourced from PubChem (CID 7017707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).