3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one

C17H20N2O2 — CID 107331880

IUPAC3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one
SMILESO=C(CCC1CCCCO1)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H20N2O2/c20-17(10-9-15-8-4-5-13-21-15)16-11-12-18-19(16)14-6-2-1-3-7-14/h1-3,6-7,11-12,15H,4-5,8-10,13H2
InChIKeyXFDBOGJIQOGGFU-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.40
Rot. Bonds5

About 3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one

3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one (PubChem CID 107331880) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one
PubChem CID107331880
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one
SMILESO=C(CCC1CCCCO1)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H20N2O2/c20-17(10-9-15-8-4-5-13-21-15)16-11-12-18-19(16)14-6-2-1-3-7-14/h1-3,6-7,11-12,15H,4-5,8-10,13H2
InChIKeyXFDBOGJIQOGGFU-UHFFFAOYSA-N
XLogP3.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one
CID 115806425
2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331781
2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331768
3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one
CID 114972319
N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide
CID 97212156
1-isoquinolin-4-yl-3-(oxan-2-yl)propan-1-one
CID 114971970
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950
5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid
CID 106946697
3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one
CID 114963138
1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone
CID 107331673
4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one
CID 105106983
oxan-4-yl-(2-phenylpyrazol-3-yl)methanone
CID 107330154

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one?
The IUPAC name of 3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one (CID 107331880) is 3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one is O=C(CCC1CCCCO1)c1ccnn1-c1ccccc1.
What is the InChIKey of 3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one?
The InChIKey is XFDBOGJIQOGGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(10-9-15-8-4-5-13-21-15)16-11-12-18-19(16)14-6-2-1-3-7-14/h1-3,6-7,11-12,15H,4-5,8-10,13H2.
What are the key properties of 3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one?
3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one has a molecular weight of 284.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 107331880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).