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

C16H21N3 — CID 106779904

IUPAC6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(Cc2ccc3c(c2)CCC(C)N3)n(C)n1
InChIInChI=1S/C16H21N3/c1-11-4-6-14-9-13(5-7-16(14)17-11)10-15-8-12(2)18-19(15)3/h5,7-9,11,17H,4,6,10H2,1-3H3
InChIKeyZLEJHKXBQHKFFH-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.07
Rot. Bonds2

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

6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 106779904) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID106779904
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(Cc2ccc3c(c2)CCC(C)N3)n(C)n1
InChIInChI=1S/C16H21N3/c1-11-4-6-14-9-13(5-7-16(14)17-11)10-15-8-12(2)18-19(15)3/h5,7-9,11,17H,4,6,10H2,1-3H3
InChIKeyZLEJHKXBQHKFFH-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (CID 106779904) is 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is Cc1cc(Cc2ccc3c(c2)CCC(C)N3)n(C)n1.
What is the InChIKey of 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZLEJHKXBQHKFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-4-6-14-9-13(5-7-16(14)17-11)10-15-8-12(2)18-19(15)3/h5,7-9,11,17H,4,6,10H2,1-3H3.
What are the key properties of 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 255.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106779904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).