1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one

C15H24N2O2 — CID 158752187

IUPAC1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
SMILESCCCCc1cc(C(=O)CCC2CCOC2)n(C)n1
InChIInChI=1S/C15H24N2O2/c1-3-4-5-13-10-14(17(2)16-13)15(18)7-6-12-8-9-19-11-12/h10,12H,3-9,11H2,1-2H3
InChIKeyINPUZTRTIJIRDX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.76
Rot. Bonds7

About 1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one

1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one (PubChem CID 158752187) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
PubChem CID158752187
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
SMILESCCCCc1cc(C(=O)CCC2CCOC2)n(C)n1
InChIInChI=1S/C15H24N2O2/c1-3-4-5-13-10-14(17(2)16-13)15(18)7-6-12-8-9-19-11-12/h10,12H,3-9,11H2,1-2H3
InChIKeyINPUZTRTIJIRDX-UHFFFAOYSA-N
XLogP2.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
CID 149131791
1-(3-ethyl-1-methylpyrazol-5-yl)octan-1-one
CID 105086496
1-(3-methyltriazol-4-yl)-2-(oxolan-3-yl)ethanone
CID 114686188
5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
CID 141473609
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine
CID 114130531
1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494
3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one
CID 147928312
1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one
CID 105100746
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023801
3-(oxolan-3-yl)-1-[5-(6-phenoxyhexyl)-1,2-oxazol-3-yl]propan-1-one
CID 159638649
3-(oxolan-3-yl)-1-[5-(4-phenylbutoxymethyl)-1,2-oxazol-3-yl]propan-1-one
CID 148781589

Frequently Asked Questions

What is the IUPAC name of 1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
The IUPAC name of 1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one (CID 158752187) is 1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one.
What is the SMILES notation for 1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
The canonical SMILES for 1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one is CCCCc1cc(C(=O)CCC2CCOC2)n(C)n1.
What is the InChIKey of 1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
The InChIKey is INPUZTRTIJIRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-5-13-10-14(17(2)16-13)15(18)7-6-12-8-9-19-11-12/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one has a molecular weight of 264.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one is sourced from PubChem (CID 158752187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).