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

C15H19N3O — CID 114662277

IUPAC6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1cnn(C)c1Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C15H19N3O/c1-18-14(15(19-2)10-17-18)9-11-5-6-13-12(8-11)4-3-7-16-13/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyDOPACWPSAYPGMN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.38
Rot. Bonds3

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

6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 114662277) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID114662277
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1cnn(C)c1Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C15H19N3O/c1-18-14(15(19-2)10-17-18)9-11-5-6-13-12(8-11)4-3-7-16-13/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyDOPACWPSAYPGMN-UHFFFAOYSA-N
XLogP2.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline
CID 106781305
6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 114662267
6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114689972
6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63970758
6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379441
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63967612
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106781151
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114172453

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 114662277) is 6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline is COc1cnn(C)c1Cc1ccc2c(c1)CCCN2.
What is the InChIKey of 6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is DOPACWPSAYPGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-14(15(19-2)10-17-18)9-11-5-6-13-12(8-11)4-3-7-16-13/h5-6,8,10,16H,3-4,7,9H2,1-2H3.
What are the key properties of 6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline?
6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 257.34 g/mol, XLogP of 2.38, 3 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)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114662277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).