2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol

C16H20N2O2 — CID 65150583

IUPAC2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol
SMILESOC(CC1CCOCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H20N2O2/c19-16(10-13-6-8-20-9-7-13)14-11-17-18(12-14)15-4-2-1-3-5-15/h1-5,11-13,16,19H,6-10H2
InChIKeyVMXGDTDIDDZMAD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.72
Rot. Bonds4

About 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol

2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol (PubChem CID 65150583) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol
PubChem CID65150583
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol
SMILESOC(CC1CCOCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H20N2O2/c19-16(10-13-6-8-20-9-7-13)14-11-17-18(12-14)15-4-2-1-3-5-15/h1-5,11-13,16,19H,6-10H2
InChIKeyVMXGDTDIDDZMAD-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105138644
cyclohexyl-(1-phenylpyrazol-4-yl)methanol
CID 61088953
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 61089139
N-(oxolan-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81328589
(1-phenylpyrazol-4-yl)-piperidin-4-ylmethanol
CID 43328996
4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole
CID 63433194
2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 114457498
4-(oxan-4-ylmethoxy)-1-phenylpyrazole
CID 117233853
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 61276580
4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952
1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol
CID 63895964

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol (CID 65150583) is 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol is OC(CC1CCOCC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol?
The InChIKey is VMXGDTDIDDZMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(10-13-6-8-20-9-7-13)14-11-17-18(12-14)15-4-2-1-3-5-15/h1-5,11-13,16,19H,6-10H2.
What are the key properties of 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol?
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol has a molecular weight of 272.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol is sourced from PubChem (CID 65150583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).