ethane;5-ethoxy-1-methylpyrazole;propane

C11H24N2O — CID 154649349

IUPACethane;5-ethoxy-1-methylpyrazole;propane
SMILESCC.CCC.CCOc1ccnn1C
InChIInChI=1S/C6H10N2O.C3H8.C2H6/c1-3-9-6-4-5-7-8(6)2;1-3-2;1-2/h4-5H,3H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyDUOMIKQSAZFMPD-UHFFFAOYSA-N
MW200.33 g/mol
LogP3.26
Rot. Bonds2

About ethane;5-ethoxy-1-methylpyrazole;propane

ethane;5-ethoxy-1-methylpyrazole;propane (PubChem CID 154649349) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is ethane;5-ethoxy-1-methylpyrazole;propane.

Molecular Properties

Compound Nameethane;5-ethoxy-1-methylpyrazole;propane
PubChem CID154649349
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Nameethane;5-ethoxy-1-methylpyrazole;propane
SMILESCC.CCC.CCOc1ccnn1C
InChIInChI=1S/C6H10N2O.C3H8.C2H6/c1-3-9-6-4-5-7-8(6)2;1-3-2;1-2/h4-5H,3H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyDUOMIKQSAZFMPD-UHFFFAOYSA-N
XLogP3.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-methylpyrazol-3-yl)oxyacetate
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2-(2-methylpyrazol-3-yl)oxyacetic acid
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5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole
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butane;1,5-dimethylpyrazole;ethane
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1-(4-bromophenyl)-5-ethoxypyrazole
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CID 123292966
CID 123292966
2-[(5-ethoxypyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141382450
5-(bromomethyl)-1-methylpyrazole
CID 59589503
5-ethoxy-4-iodo-1-methylpyrazole
CID 143937112
ethane;(2-methylpyrazol-3-yl)methanol
CID 144625468
tert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane
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potassium;ethane;5-methanidyl-1-methylpyrazole
CID 168886723

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethoxy-1-methylpyrazole;propane?
The IUPAC name of ethane;5-ethoxy-1-methylpyrazole;propane (CID 154649349) is ethane;5-ethoxy-1-methylpyrazole;propane.
What is the SMILES notation for ethane;5-ethoxy-1-methylpyrazole;propane?
The canonical SMILES for ethane;5-ethoxy-1-methylpyrazole;propane is CC.CCC.CCOc1ccnn1C.
What is the InChIKey of ethane;5-ethoxy-1-methylpyrazole;propane?
The InChIKey is DUOMIKQSAZFMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C3H8.C2H6/c1-3-9-6-4-5-7-8(6)2;1-3-2;1-2/h4-5H,3H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-ethoxy-1-methylpyrazole;propane?
ethane;5-ethoxy-1-methylpyrazole;propane has a molecular weight of 200.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethoxy-1-methylpyrazole;propane is sourced from PubChem (CID 154649349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).