1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole

C13H18N4O — CID 56868529

IUPAC1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole
SMILESCCn1cc(Cn2ccnc2C2CCOC2)cn1
InChIInChI=1S/C13H18N4O/c1-2-17-9-11(7-15-17)8-16-5-4-14-13(16)12-3-6-18-10-12/h4-5,7,9,12H,2-3,6,8,10H2,1H3
InChIKeyWMMWYYHXJANZOG-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.65
Rot. Bonds4

About 1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole

1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole (PubChem CID 56868529) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole
PubChem CID56868529
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole
SMILESCCn1cc(Cn2ccnc2C2CCOC2)cn1
InChIInChI=1S/C13H18N4O/c1-2-17-9-11(7-15-17)8-16-5-4-14-13(16)12-3-6-18-10-12/h4-5,7,9,12H,2-3,6,8,10H2,1H3
InChIKeyWMMWYYHXJANZOG-UHFFFAOYSA-N
XLogP1.65
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole?
The IUPAC name of 1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole (CID 56868529) is 1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole.
What is the SMILES notation for 1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole?
The canonical SMILES for 1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole is CCn1cc(Cn2ccnc2C2CCOC2)cn1.
What is the InChIKey of 1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole?
The InChIKey is WMMWYYHXJANZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-17-9-11(7-15-17)8-16-5-4-14-13(16)12-3-6-18-10-12/h4-5,7,9,12H,2-3,6,8,10H2,1H3.
What are the key properties of 1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole?
1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole has a molecular weight of 246.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]pyrazole is sourced from PubChem (CID 56868529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).