1-benzyl-4-(oxan-3-ylmethoxy)pyrazole

C16H20N2O2 — CID 117233963

IUPAC1-benzyl-4-(oxan-3-ylmethoxy)pyrazole
SMILESc1ccc(Cn2cc(OCC3CCCOC3)cn2)cc1
InChIInChI=1S/C16H20N2O2/c1-2-5-14(6-3-1)10-18-11-16(9-17-18)20-13-15-7-4-8-19-12-15/h1-3,5-6,9,11,15H,4,7-8,10,12-13H2
InChIKeyGWVFCQMKRSJCBB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.74
Rot. Bonds5

About 1-benzyl-4-(oxan-3-ylmethoxy)pyrazole

1-benzyl-4-(oxan-3-ylmethoxy)pyrazole (PubChem CID 117233963) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-benzyl-4-(oxan-3-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-benzyl-4-(oxan-3-ylmethoxy)pyrazole
PubChem CID117233963
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-benzyl-4-(oxan-3-ylmethoxy)pyrazole
SMILESc1ccc(Cn2cc(OCC3CCCOC3)cn2)cc1
InChIInChI=1S/C16H20N2O2/c1-2-5-14(6-3-1)10-18-11-16(9-17-18)20-13-15-7-4-8-19-12-15/h1-3,5-6,9,11,15H,4,7-8,10,12-13H2
InChIKeyGWVFCQMKRSJCBB-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-4-ylmethoxy)pyrazole
CID 117233849
1-benzyl-4-(oxan-3-yloxy)pyrazole
CID 117233868
4-(oxan-4-ylmethoxy)-1-phenylpyrazole
CID 117233853
2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol
CID 117234046
1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244
[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol
CID 121207451
1-benzyl-N-cycloheptylpyrazol-4-amine
CID 60931271
1-benzyl-4-[[3-(oxan-4-yl)azetidin-1-yl]methyl]pyrazole
CID 167856271
3-[(1-benzylpyrazol-4-yl)methyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 87007523
1-benzyl-4-(2-fluorophenoxy)pyrazole
CID 117234109
1-benzyl-4-(2-methoxyphenoxy)pyrazole
CID 117234112
N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine
CID 62935741

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(oxan-3-ylmethoxy)pyrazole?
The IUPAC name of 1-benzyl-4-(oxan-3-ylmethoxy)pyrazole (CID 117233963) is 1-benzyl-4-(oxan-3-ylmethoxy)pyrazole.
What is the SMILES notation for 1-benzyl-4-(oxan-3-ylmethoxy)pyrazole?
The canonical SMILES for 1-benzyl-4-(oxan-3-ylmethoxy)pyrazole is c1ccc(Cn2cc(OCC3CCCOC3)cn2)cc1.
What is the InChIKey of 1-benzyl-4-(oxan-3-ylmethoxy)pyrazole?
The InChIKey is GWVFCQMKRSJCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-5-14(6-3-1)10-18-11-16(9-17-18)20-13-15-7-4-8-19-12-15/h1-3,5-6,9,11,15H,4,7-8,10,12-13H2.
What are the key properties of 1-benzyl-4-(oxan-3-ylmethoxy)pyrazole?
1-benzyl-4-(oxan-3-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-3-ylmethoxy)pyrazole is sourced from PubChem (CID 117233963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).