4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole

C11H18N2O2 — CID 99837453

IUPAC4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole
SMILESCc1cnn(CCO[C@@H]2CCCCO2)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/t11-/m1/s1
InChIKeyYOSGPCAWILHMAK-LLVKDONJSA-N
MW210.28 g/mol
LogP1.73
Rot. Bonds4

About 4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole

4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole (PubChem CID 99837453) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole
PubChem CID99837453
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole
SMILESCc1cnn(CCO[C@@H]2CCCCO2)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/t11-/m1/s1
InChIKeyYOSGPCAWILHMAK-LLVKDONJSA-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-[(2R)-oxan-2-yl]oxyethyl]pyrazole?
The IUPAC name of 4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole (CID 99837453) is 4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole.
What is the SMILES notation for 4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole?
The canonical SMILES for 4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole is Cc1cnn(CCO[C@@H]2CCCCO2)c1.
What is the InChIKey of 4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole?
The InChIKey is YOSGPCAWILHMAK-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of 4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole?
4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]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-[(2R)-oxan-2-yl]oxyethyl]pyrazole is sourced from PubChem (CID 99837453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).