oxan-4-yl-(2-phenylpyrazol-3-yl)methanone

C15H16N2O2 — CID 107330154

IUPACoxan-4-yl-(2-phenylpyrazol-3-yl)methanone
SMILESO=C(c1ccnn1-c1ccccc1)C1CCOCC1
InChIInChI=1S/C15H16N2O2/c18-15(12-7-10-19-11-8-12)14-6-9-16-17(14)13-4-2-1-3-5-13/h1-6,9,12H,7-8,10-11H2
InChIKeyYQOLOIKBPCTTJX-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.48
Rot. Bonds3

About oxan-4-yl-(2-phenylpyrazol-3-yl)methanone

oxan-4-yl-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107330154) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is oxan-4-yl-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(2-phenylpyrazol-3-yl)methanone
PubChem CID107330154
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Nameoxan-4-yl-(2-phenylpyrazol-3-yl)methanone
SMILESO=C(c1ccnn1-c1ccccc1)C1CCOCC1
InChIInChI=1S/C15H16N2O2/c18-15(12-7-10-19-11-8-12)14-6-9-16-17(14)13-4-2-1-3-5-13/h1-6,9,12H,7-8,10-11H2
InChIKeyYQOLOIKBPCTTJX-UHFFFAOYSA-N
XLogP2.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze oxan-4-yl-(2-phenylpyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107331838
(4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107330174
2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331768
2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331781
2-phenylpyrazole-3-carbothioamide
CID 83387115
2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid
CID 142699348
3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331880
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535
1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone
CID 107331673
[4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone
CID 146127136
oxan-4-yl-(4-phenylphenyl)methanone
CID 62905640
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of oxan-4-yl-(2-phenylpyrazol-3-yl)methanone (CID 107330154) is oxan-4-yl-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for oxan-4-yl-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for oxan-4-yl-(2-phenylpyrazol-3-yl)methanone is O=C(c1ccnn1-c1ccccc1)C1CCOCC1.
What is the InChIKey of oxan-4-yl-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is YQOLOIKBPCTTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(12-7-10-19-11-8-12)14-6-9-16-17(14)13-4-2-1-3-5-13/h1-6,9,12H,7-8,10-11H2.
What are the key properties of oxan-4-yl-(2-phenylpyrazol-3-yl)methanone?
oxan-4-yl-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107330154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).