4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline

C14H17N3O — CID 177221822

IUPAC4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1c(C2CNCc3ccccc32)cnn1C
InChIInChI=1S/C14H17N3O/c1-17-14(18-2)13(9-16-17)12-8-15-7-10-5-3-4-6-11(10)12/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyCMPPRHXDRLJLJJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.66
Rot. Bonds2

About 4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline

4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 177221822) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID177221822
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1c(C2CNCc3ccccc32)cnn1C
InChIInChI=1S/C14H17N3O/c1-17-14(18-2)13(9-16-17)12-8-15-7-10-5-3-4-6-11(10)12/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyCMPPRHXDRLJLJJ-UHFFFAOYSA-N
XLogP1.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline (CID 177221822) is 4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline is COc1c(C2CNCc3ccccc32)cnn1C.
What is the InChIKey of 4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CMPPRHXDRLJLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-14(18-2)13(9-16-17)12-8-15-7-10-5-3-4-6-11(10)12/h3-6,9,12,15H,7-8H2,1-2H3.
What are the key properties of 4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 243.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 177221822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).