1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C13H18N2O2 — CID 102652873

IUPAC1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)C1=CCCO1
InChIInChI=1S/C13H18N2O2/c1-9-11(10(2)15(3)14-9)6-7-12(16)13-5-4-8-17-13/h5H,4,6-8H2,1-3H3
InChIKeyJHJNUEYWQONXGE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.84
Rot. Bonds4

About 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 102652873) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID102652873
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)C1=CCCO1
InChIInChI=1S/C13H18N2O2/c1-9-11(10(2)15(3)14-9)6-7-12(16)13-5-4-8-17-13/h5H,4,6-8H2,1-3H3
InChIKeyJHJNUEYWQONXGE-UHFFFAOYSA-N
XLogP1.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 102653938
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 102653559
2,3-dihydro-1,4-benzodioxin-6-yl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 78832286
[1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 102654606
1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 105113394
1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one
CID 103024140
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91785336
1-thiomorpholin-4-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71688984
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96574637
1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 70769125
1-(4-hydroxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 43416095
1-(1-methylimidazol-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one
CID 105133788

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 102652873) is 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is Cc1nn(C)c(C)c1CCC(=O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is JHJNUEYWQONXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-11(10(2)15(3)14-9)6-7-12(16)13-5-4-8-17-13/h5H,4,6-8H2,1-3H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 102652873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).