ethane;1-(2-methoxyethyl)-3-methylpyrazole

C9H18N2O — CID 153333995

IUPACethane;1-(2-methoxyethyl)-3-methylpyrazole
SMILESCC.COCCn1ccc(C)n1
InChIInChI=1S/C7H12N2O.C2H6/c1-7-3-4-9(8-7)5-6-10-2;1-2/h3-4H,5-6H2,1-2H3;1-2H3
InChIKeyOTXRXXOVDMXGRX-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.86
Rot. Bonds3

About ethane;1-(2-methoxyethyl)-3-methylpyrazole

ethane;1-(2-methoxyethyl)-3-methylpyrazole (PubChem CID 153333995) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is ethane;1-(2-methoxyethyl)-3-methylpyrazole.

Molecular Properties

Compound Nameethane;1-(2-methoxyethyl)-3-methylpyrazole
PubChem CID153333995
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Nameethane;1-(2-methoxyethyl)-3-methylpyrazole
SMILESCC.COCCn1ccc(C)n1
InChIInChI=1S/C7H12N2O.C2H6/c1-7-3-4-9(8-7)5-6-10-2;1-2/h3-4H,5-6H2,1-2H3;1-2H3
InChIKeyOTXRXXOVDMXGRX-UHFFFAOYSA-N
XLogP1.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole
CID 103184144
3-iodo-1-(2-methoxyethyl)pyrazole
CID 79788054
N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555927
N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19559507
argon;ethane;1-ethyl-3-methylpyrazole
CID 160730731
1-(3-fluoropropyl)-3-methylpyrazole
CID 81114293
1-ethyl-3-methylpyrazole
CID 12002774
N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
1-(4-methoxybut-2-ynyl)-3-methylpyrazole
CID 130629026
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
CID 119767695
4-ethyl-1-[1-(2-methoxyethyl)pyrazol-3-yl]-3,5-dimethylpyrazole
CID 167941831
2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate
CID 583695

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxyethyl)-3-methylpyrazole?
The IUPAC name of ethane;1-(2-methoxyethyl)-3-methylpyrazole (CID 153333995) is ethane;1-(2-methoxyethyl)-3-methylpyrazole.
What is the SMILES notation for ethane;1-(2-methoxyethyl)-3-methylpyrazole?
The canonical SMILES for ethane;1-(2-methoxyethyl)-3-methylpyrazole is CC.COCCn1ccc(C)n1.
What is the InChIKey of ethane;1-(2-methoxyethyl)-3-methylpyrazole?
The InChIKey is OTXRXXOVDMXGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C2H6/c1-7-3-4-9(8-7)5-6-10-2;1-2/h3-4H,5-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methoxyethyl)-3-methylpyrazole?
ethane;1-(2-methoxyethyl)-3-methylpyrazole has a molecular weight of 170.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyethyl)-3-methylpyrazole is sourced from PubChem (CID 153333995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).