1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one

C12H18N2O3 — CID 103543712

IUPAC1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
SMILESCC(C)n1ccc(CC(=O)CC2OCCO2)n1
InChIInChI=1S/C12H18N2O3/c1-9(2)14-4-3-10(13-14)7-11(15)8-12-16-5-6-17-12/h3-4,9,12H,5-8H2,1-2H3
InChIKeyHMICADFRKFSRPP-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.34
Rot. Bonds5

About 1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one

1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one (PubChem CID 103543712) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
PubChem CID103543712
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
SMILESCC(C)n1ccc(CC(=O)CC2OCCO2)n1
InChIInChI=1S/C12H18N2O3/c1-9(2)14-4-3-10(13-14)7-11(15)8-12-16-5-6-17-12/h3-4,9,12H,5-8H2,1-2H3
InChIKeyHMICADFRKFSRPP-UHFFFAOYSA-N
XLogP1.34
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116548395
1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975728
5-methyl-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-one
CID 64771535
1-(1-propan-2-ylpyrazol-3-yl)undecan-2-one
CID 114975653
1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 64772251
1-[1-(aminomethyl)cyclohexyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116614352
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 105105618
6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one
CID 116610103
1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 64773333
1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116598430
1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975659
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 65407389

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one (CID 103543712) is 1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one is CC(C)n1ccc(CC(=O)CC2OCCO2)n1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The InChIKey is HMICADFRKFSRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)14-4-3-10(13-14)7-11(15)8-12-16-5-6-17-12/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one has a molecular weight of 238.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 103543712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).