4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole

C11H18N2O2 — CID 70338595

IUPAC4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole
SMILESCc1cnn(CCOC2CCCCO2)c1
InChIInChI=1S/C11H18N2O2/c1-10-8-12-13(9-10)5-7-15-11-4-2-3-6-14-11/h8-9,11H,2-7H2,1H3
InChIKeyYOSGPCAWILHMAK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.73
Rot. Bonds4

About 4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole

4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole (PubChem CID 70338595) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole
PubChem CID70338595
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole
SMILESCc1cnn(CCOC2CCCCO2)c1
InChIInChI=1S/C11H18N2O2/c1-10-8-12-13(9-10)5-7-15-11-4-2-3-6-14-11/h8-9,11H,2-7H2,1H3
InChIKeyYOSGPCAWILHMAK-UHFFFAOYSA-N
XLogP1.73
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole?
The IUPAC name of 4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole (CID 70338595) is 4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole.
What is the SMILES notation for 4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole?
The canonical SMILES for 4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole is Cc1cnn(CCOC2CCCCO2)c1.
What is the InChIKey of 4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole?
The InChIKey is YOSGPCAWILHMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-10-8-12-13(9-10)5-7-15-11-4-2-3-6-14-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole?
4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole has a molecular weight of 210.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole is sourced from PubChem (CID 70338595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).