1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline

C19H26N4O — CID 158803868

IUPAC1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CNCC2.Cc1ccn(C)n1.Cc1ncco1
InChIInChI=1S/C10H13N.C5H8N2.C4H5NO/c1-8-2-3-9-4-5-11-7-10(9)6-8;1-5-3-4-7(2)6-5;1-4-5-2-3-6-4/h2-3,6,11H,4-5,7H2,1H3;3-4H,1-2H3;2-3H,1H3
InChIKeyITVDCDOLWMMBJJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.35
Rot. Bonds

About 1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline

1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 158803868) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID158803868
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CNCC2.Cc1ccn(C)n1.Cc1ncco1
InChIInChI=1S/C10H13N.C5H8N2.C4H5NO/c1-8-2-3-9-4-5-11-7-10(9)6-8;1-5-3-4-7(2)6-5;1-4-5-2-3-6-4/h2-3,6,11H,4-5,7H2,1H3;3-4H,1-2H3;2-3H,1H3
InChIKeyITVDCDOLWMMBJJ-UHFFFAOYSA-N
XLogP3.35
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline (CID 158803868) is 1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline is Cc1ccc2c(c1)CNCC2.Cc1ccn(C)n1.Cc1ncco1.
What is the InChIKey of 1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ITVDCDOLWMMBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C5H8N2.C4H5NO/c1-8-2-3-9-4-5-11-7-10(9)6-8;1-5-3-4-7(2)6-5;1-4-5-2-3-6-4/h2-3,6,11H,4-5,7H2,1H3;3-4H,1-2H3;2-3H,1H3.
What are the key properties of 1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline?
1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 326.44 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazole;2-methyl-1,3-oxazole;7-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 158803868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).