1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C13H20N2O2 — CID 114975728

IUPAC1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC1OCCC1C(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H20N2O2/c1-9(2)15-6-4-11(14-15)8-13(16)12-5-7-17-10(12)3/h4,6,9-10,12H,5,7-8H2,1-3H3
InChIKeyXYPVVFVCNNJFFG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.00
Rot. Bonds4

About 1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 114975728) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID114975728
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC1OCCC1C(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H20N2O2/c1-9(2)15-6-4-11(14-15)8-13(16)12-5-7-17-10(12)3/h4,6,9-10,12H,5,7-8H2,1-3H3
InChIKeyXYPVVFVCNNJFFG-UHFFFAOYSA-N
XLogP2.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 64772251
1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 103543712
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116575965
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 65407389
1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062983
1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116568846
1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975639
1-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-one
CID 64773472
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 65407021
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116604079
1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116548395
2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 79759578

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 114975728) is 1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CC1OCCC1C(=O)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is XYPVVFVCNNJFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)15-6-4-11(14-15)8-13(16)12-5-7-17-10(12)3/h4,6,9-10,12H,5,7-8H2,1-3H3.
What are the key properties of 1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114975728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).