5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline

C13H15N3O — CID 114274259

IUPAC5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1cnn(-c2cccc3c2CCCN3)c1
InChIInChI=1S/C13H15N3O/c1-17-10-8-15-16(9-10)13-6-2-5-12-11(13)4-3-7-14-12/h2,5-6,8-9,14H,3-4,7H2,1H3
InChIKeyLCQPOIBLIIYQTH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.24
Rot. Bonds2

About 5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline

5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 114274259) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID114274259
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1cnn(-c2cccc3c2CCCN3)c1
InChIInChI=1S/C13H15N3O/c1-17-10-8-15-16(9-10)13-6-2-5-12-11(13)4-3-7-14-12/h2,5-6,8-9,14H,3-4,7H2,1H3
InChIKeyLCQPOIBLIIYQTH-UHFFFAOYSA-N
XLogP2.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline (CID 114274259) is 5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline is COc1cnn(-c2cccc3c2CCCN3)c1.
What is the InChIKey of 5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is LCQPOIBLIIYQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-10-8-15-16(9-10)13-6-2-5-12-11(13)4-3-7-14-12/h2,5-6,8-9,14H,3-4,7H2,1H3.
What are the key properties of 5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 229.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114274259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).