2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one

C8H10N2O — CID 79190260

IUPAC2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)c1cnn(C)c1
InChIInChI=1S/C8H10N2O/c1-6(2)8(11)7-4-9-10(3)5-7/h4-5H,1H2,2-3H3
InChIKeyZMRPJIJEPSPAGZ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.18
Rot. Bonds2

About 2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one

2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one (PubChem CID 79190260) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
PubChem CID79190260
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)c1cnn(C)c1
InChIInChI=1S/C8H10N2O/c1-6(2)8(11)7-4-9-10(3)5-7/h4-5H,1H2,2-3H3
InChIKeyZMRPJIJEPSPAGZ-UHFFFAOYSA-N
XLogP1.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
1-methylpyrazole-4-carboxylate
CID 6979031
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fluoromethane;1-methylpyrazole-4-carboxamide
CID 158051819
2-fluoro-3-(1-methylpyrazol-4-yl)but-2-enoic acid
CID 79728820
1-(1-methylpyrazol-4-yl)but-3-yn-1-one
CID 65195300
2-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82595197
2,2-difluoro-1-(1-methylpyrazol-4-yl)propan-1-one
CID 127017336
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide
CID 115700182
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82416925
2-(methylamino)-1-(1-methylpyrazol-4-yl)ethanone
CID 82595196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The IUPAC name of 2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one (CID 79190260) is 2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is C=C(C)C(=O)c1cnn(C)c1.
What is the InChIKey of 2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The InChIKey is ZMRPJIJEPSPAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6(2)8(11)7-4-9-10(3)5-7/h4-5H,1H2,2-3H3.
What are the key properties of 2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one has a molecular weight of 150.18 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 79190260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).