1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole

C12H16N4O — CID 67609562

IUPAC1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole
SMILESc1cn(CC2CCOC(c3cn[nH]c3)C2)cn1
InChIInChI=1S/C12H16N4O/c1-4-17-12(11-6-14-15-7-11)5-10(1)8-16-3-2-13-9-16/h2-3,6-7,9-10,12H,1,4-5,8H2,(H,14,15)
InChIKeyQKLLDVPOJKERKZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.77
Rot. Bonds3

About 1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole

1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole (PubChem CID 67609562) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole
PubChem CID67609562
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole
SMILESc1cn(CC2CCOC(c3cn[nH]c3)C2)cn1
InChIInChI=1S/C12H16N4O/c1-4-17-12(11-6-14-15-7-11)5-10(1)8-16-3-2-13-9-16/h2-3,6-7,9-10,12H,1,4-5,8H2,(H,14,15)
InChIKeyQKLLDVPOJKERKZ-UHFFFAOYSA-N
XLogP1.77
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole?
The IUPAC name of 1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole (CID 67609562) is 1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole is c1cn(CC2CCOC(c3cn[nH]c3)C2)cn1.
What is the InChIKey of 1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole?
The InChIKey is QKLLDVPOJKERKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-17-12(11-6-14-15-7-11)5-10(1)8-16-3-2-13-9-16/h2-3,6-7,9-10,12H,1,4-5,8H2,(H,14,15).
What are the key properties of 1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole?
1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole has a molecular weight of 232.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole is sourced from PubChem (CID 67609562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).