3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole

C12H20N2O2 — CID 162435947

IUPAC3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
SMILESCCc1cc(COC2CCCCO2)n(C)n1
InChIInChI=1S/C12H20N2O2/c1-3-10-8-11(14(2)13-10)9-16-12-6-4-5-7-15-12/h8,12H,3-7,9H2,1-2H3
InChIKeyLYRWYKRLLOIUPD-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.03
Rot. Bonds4

About 3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole

3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole (PubChem CID 162435947) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
PubChem CID162435947
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
SMILESCCc1cc(COC2CCCCO2)n(C)n1
InChIInChI=1S/C12H20N2O2/c1-3-10-8-11(14(2)13-10)9-16-12-6-4-5-7-15-12/h8,12H,3-7,9H2,1-2H3
InChIKeyLYRWYKRLLOIUPD-UHFFFAOYSA-N
XLogP2.03
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(iodomethyl)-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
CID 166940250
1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine
CID 124673951
2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine
CID 104998968
ethane;1-(4-ethylphenyl)-5-(oxan-2-yloxymethyl)triazole
CID 145305024
3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole
CID 66952939
3-[3-[1-methyl-3-(oxan-2-yloxymethyl)pyrazol-5-yl]phenyl]-3-oxopropanoic acid
CID 18613292
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
5-bromo-4-ethyl-2-[1-methyl-5-(oxan-2-yloxymethyl)pyrazol-4-yl]pyrimidine
CID 169096053
4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 104999122
3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole
CID 164718904

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole?
The IUPAC name of 3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole (CID 162435947) is 3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole.
What is the SMILES notation for 3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole?
The canonical SMILES for 3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole is CCc1cc(COC2CCCCO2)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole?
The InChIKey is LYRWYKRLLOIUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-10-8-11(14(2)13-10)9-16-12-6-4-5-7-15-12/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole?
3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole has a molecular weight of 224.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole is sourced from PubChem (CID 162435947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).