6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

C17H23N3O — CID 105379441

IUPAC6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCn1ncc(OC)c1Cc1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C17H23N3O/c1-4-20-16(17(21-3)11-18-20)10-13-6-8-15-14(9-13)7-5-12(2)19-15/h6,8-9,11-12,19H,4-5,7,10H2,1-3H3
InChIKeyXQBQMBSKWGXDOP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds4

About 6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 105379441) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID105379441
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCn1ncc(OC)c1Cc1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C17H23N3O/c1-4-20-16(17(21-3)11-18-20)10-13-6-8-15-14(9-13)7-5-12(2)19-15/h6,8-9,11-12,19H,4-5,7,10H2,1-3H3
InChIKeyXQBQMBSKWGXDOP-UHFFFAOYSA-N
XLogP3.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (CID 105379441) is 6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is CCn1ncc(OC)c1Cc1ccc2c(c1)CCC(C)N2.
What is the InChIKey of 6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is XQBQMBSKWGXDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-20-16(17(21-3)11-18-20)10-13-6-8-15-14(9-13)7-5-12(2)19-15/h6,8-9,11-12,19H,4-5,7,10H2,1-3H3.
What are the key properties of 6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 285.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105379441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).