1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane

C17H32N4O — CID 163750459

IUPAC1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane
SMILESCCn1ccc(C)n1.CCn1nc(C)cc1C.COC(C)C
InChIInChI=1S/C7H12N2.C6H10N2.C4H10O/c1-4-9-7(3)5-6(2)8-9;1-3-8-5-4-6(2)7-8;1-4(2)5-3/h5H,4H2,1-3H3;4-5H,3H2,1-2H3;4H,1-3H3
InChIKeyLPNSRFYZFZEXLC-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.77
Rot. Bonds3

About 1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane

1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane (PubChem CID 163750459) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane.

Molecular Properties

Compound Name1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane
PubChem CID163750459
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane
SMILESCCn1ccc(C)n1.CCn1nc(C)cc1C.COC(C)C
InChIInChI=1S/C7H12N2.C6H10N2.C4H10O/c1-4-9-7(3)5-6(2)8-9;1-3-8-5-4-6(2)7-8;1-4(2)5-3/h5H,4H2,1-3H3;4-5H,3H2,1-2H3;4H,1-3H3
InChIKeyLPNSRFYZFZEXLC-UHFFFAOYSA-N
XLogP3.77
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane?
The IUPAC name of 1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane (CID 163750459) is 1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane.
What is the SMILES notation for 1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane?
The canonical SMILES for 1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane is CCn1ccc(C)n1.CCn1nc(C)cc1C.COC(C)C.
What is the InChIKey of 1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane?
The InChIKey is LPNSRFYZFZEXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H10N2.C4H10O/c1-4-9-7(3)5-6(2)8-9;1-3-8-5-4-6(2)7-8;1-4(2)5-3/h5H,4H2,1-3H3;4-5H,3H2,1-2H3;4H,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane?
1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane has a molecular weight of 308.47 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane is sourced from PubChem (CID 163750459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).