4-(oxan-4-ylmethoxy)-1-phenylpyrazole

C15H18N2O2 — CID 117233853

IUPAC4-(oxan-4-ylmethoxy)-1-phenylpyrazole
SMILESc1ccc(-n2cc(OCC3CCOCC3)cn2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-4-14(5-3-1)17-11-15(10-16-17)19-12-13-6-8-18-9-7-13/h1-5,10-11,13H,6-9,12H2
InChIKeyMGKHVOBTXUBSTI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.68
Rot. Bonds4

About 4-(oxan-4-ylmethoxy)-1-phenylpyrazole

4-(oxan-4-ylmethoxy)-1-phenylpyrazole (PubChem CID 117233853) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(oxan-4-ylmethoxy)-1-phenylpyrazole.

Molecular Properties

Compound Name4-(oxan-4-ylmethoxy)-1-phenylpyrazole
PubChem CID117233853
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(oxan-4-ylmethoxy)-1-phenylpyrazole
SMILESc1ccc(-n2cc(OCC3CCOCC3)cn2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-4-14(5-3-1)17-11-15(10-16-17)19-12-13-6-8-18-9-7-13/h1-5,10-11,13H,6-9,12H2
InChIKeyMGKHVOBTXUBSTI-UHFFFAOYSA-N
XLogP2.68
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(oxan-4-ylmethoxy)pyrazole
CID 117233849
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105138644
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 65150583
2-[(1-phenylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide
CID 117233952
4-(oxan-4-ylmethylsulfinylmethyl)-1-phenylpyrazole
CID 86781044
3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol
CID 117230320
1-phenyl-4-(2-pyrrolidin-1-ylethoxy)pyrazole
CID 117234134
4-(azetidin-3-ylmethoxy)-1-(3-bromophenyl)pyrazole
CID 117230313
2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol
CID 117234052
1-benzyl-4-(oxan-3-ylmethoxy)pyrazole
CID 117233963
N-(oxolan-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81328589
4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 167784680

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethoxy)-1-phenylpyrazole?
The IUPAC name of 4-(oxan-4-ylmethoxy)-1-phenylpyrazole (CID 117233853) is 4-(oxan-4-ylmethoxy)-1-phenylpyrazole.
What is the SMILES notation for 4-(oxan-4-ylmethoxy)-1-phenylpyrazole?
The canonical SMILES for 4-(oxan-4-ylmethoxy)-1-phenylpyrazole is c1ccc(-n2cc(OCC3CCOCC3)cn2)cc1.
What is the InChIKey of 4-(oxan-4-ylmethoxy)-1-phenylpyrazole?
The InChIKey is MGKHVOBTXUBSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-4-14(5-3-1)17-11-15(10-16-17)19-12-13-6-8-18-9-7-13/h1-5,10-11,13H,6-9,12H2.
What are the key properties of 4-(oxan-4-ylmethoxy)-1-phenylpyrazole?
4-(oxan-4-ylmethoxy)-1-phenylpyrazole has a molecular weight of 258.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethoxy)-1-phenylpyrazole is sourced from PubChem (CID 117233853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).