6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline

C14H17N3O — CID 106781305

IUPAC6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1cnn(C)c1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H17N3O/c1-17-14(13(18-2)9-16-17)11-5-6-12-10(8-11)4-3-7-15-12/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyMIANSMBGLLDTRW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.45
Rot. Bonds2

About 6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline

6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106781305) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106781305
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1cnn(C)c1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H17N3O/c1-17-14(13(18-2)9-16-17)11-5-6-12-10(8-11)4-3-7-15-12/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyMIANSMBGLLDTRW-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline (CID 106781305) is 6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline is COc1cnn(C)c1-c1ccc2c(c1)CCCN2.
What is the InChIKey of 6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is MIANSMBGLLDTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-14(13(18-2)9-16-17)11-5-6-12-10(8-11)4-3-7-15-12/h5-6,8-9,15H,3-4,7H2,1-2H3.
What are the key properties of 6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline?
6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 243.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106781305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).