oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C15H18N2O2 — CID 122703561

IUPACoxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(C1CCOCC1)N1N=CCC1c1ccccc1
InChIInChI=1S/C15H18N2O2/c18-15(13-7-10-19-11-8-13)17-14(6-9-16-17)12-4-2-1-3-5-12/h1-5,9,13-14H,6-8,10-11H2
InChIKeyVCBLHMUYNPNWHV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.37
Rot. Bonds2

About oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 122703561) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID122703561
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameoxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(C1CCOCC1)N1N=CCC1c1ccccc1
InChIInChI=1S/C15H18N2O2/c18-15(13-7-10-19-11-8-13)17-14(6-9-16-17)12-4-2-1-3-5-12/h1-5,9,13-14H,6-8,10-11H2
InChIKeyVCBLHMUYNPNWHV-UHFFFAOYSA-N
XLogP2.37
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 122703561) is oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is O=C(C1CCOCC1)N1N=CCC1c1ccccc1.
What is the InChIKey of oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is VCBLHMUYNPNWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(13-7-10-19-11-8-13)17-14(6-9-16-17)12-4-2-1-3-5-12/h1-5,9,13-14H,6-8,10-11H2.
What are the key properties of oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 122703561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).