1-benzyl-4-(oxan-4-ylmethoxy)pyrazole

C16H20N2O2 — CID 117233849

IUPAC1-benzyl-4-(oxan-4-ylmethoxy)pyrazole
SMILESc1ccc(Cn2cc(OCC3CCOCC3)cn2)cc1
InChIInChI=1S/C16H20N2O2/c1-2-4-14(5-3-1)11-18-12-16(10-17-18)20-13-15-6-8-19-9-7-15/h1-5,10,12,15H,6-9,11,13H2
InChIKeyNTPYERJJJFEYTO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.74
Rot. Bonds5

About 1-benzyl-4-(oxan-4-ylmethoxy)pyrazole

1-benzyl-4-(oxan-4-ylmethoxy)pyrazole (PubChem CID 117233849) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-benzyl-4-(oxan-4-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-benzyl-4-(oxan-4-ylmethoxy)pyrazole
PubChem CID117233849
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-benzyl-4-(oxan-4-ylmethoxy)pyrazole
SMILESc1ccc(Cn2cc(OCC3CCOCC3)cn2)cc1
InChIInChI=1S/C16H20N2O2/c1-2-4-14(5-3-1)11-18-12-16(10-17-18)20-13-15-6-8-19-9-7-15/h1-5,10,12,15H,6-9,11,13H2
InChIKeyNTPYERJJJFEYTO-UHFFFAOYSA-N
XLogP2.74
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(oxan-3-ylmethoxy)pyrazole
CID 117233963
4-(oxan-4-ylmethoxy)-1-phenylpyrazole
CID 117233853
1-benzyl-4-(oxan-3-yloxy)pyrazole
CID 117233868
1-benzyl-4-[[3-(oxan-4-yl)azetidin-1-yl]methyl]pyrazole
CID 167856271
1-[(1-benzylpyrazol-4-yl)methyl]-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111643252
2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol
CID 117234046
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
1-benzyl-4-(2-fluorophenoxy)pyrazole
CID 117234109
1-benzyl-4-(2-methoxyphenoxy)pyrazole
CID 117234112
3-[(1-benzylpyrazol-4-yl)methyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 87007523
1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244
1-benzyl-4-thiophen-2-yloxypyrazole
CID 117233985

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(oxan-4-ylmethoxy)pyrazole?
The IUPAC name of 1-benzyl-4-(oxan-4-ylmethoxy)pyrazole (CID 117233849) is 1-benzyl-4-(oxan-4-ylmethoxy)pyrazole.
What is the SMILES notation for 1-benzyl-4-(oxan-4-ylmethoxy)pyrazole?
The canonical SMILES for 1-benzyl-4-(oxan-4-ylmethoxy)pyrazole is c1ccc(Cn2cc(OCC3CCOCC3)cn2)cc1.
What is the InChIKey of 1-benzyl-4-(oxan-4-ylmethoxy)pyrazole?
The InChIKey is NTPYERJJJFEYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-4-14(5-3-1)11-18-12-16(10-17-18)20-13-15-6-8-19-9-7-15/h1-5,10,12,15H,6-9,11,13H2.
What are the key properties of 1-benzyl-4-(oxan-4-ylmethoxy)pyrazole?
1-benzyl-4-(oxan-4-ylmethoxy)pyrazole has a molecular weight of 272.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(oxan-4-ylmethoxy)pyrazole is sourced from PubChem (CID 117233849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).