3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene

C20H25N3 — CID 171972788

IUPAC3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
SMILESCc1cc(C)n(-c2cccc(C3=CC4CCCC(C3)N4C)c2)n1
InChIInChI=1S/C20H25N3/c1-14-10-15(2)23(21-14)20-9-4-6-16(11-20)17-12-18-7-5-8-19(13-17)22(18)3/h4,6,9-12,18-19H,5,7-8,13H2,1-3H3
InChIKeyQJBQFGGHODSBII-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.13
Rot. Bonds2

About 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene

3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 171972788) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
PubChem CID171972788
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
SMILESCc1cc(C)n(-c2cccc(C3=CC4CCCC(C3)N4C)c2)n1
InChIInChI=1S/C20H25N3/c1-14-10-15(2)23(21-14)20-9-4-6-16(11-20)17-12-18-7-5-8-19(13-17)22(18)3/h4,6,9-12,18-19H,5,7-8,13H2,1-3H3
InChIKeyQJBQFGGHODSBII-UHFFFAOYSA-N
XLogP4.13
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene with MolForge

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Related Compounds

3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide
CID 171971788
2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine
CID 171974754
9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171973283
tert-butyl 3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzoate
CID 171972602
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171974636
9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole
CID 171967830
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 16640536
9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene
CID 171974487
3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene
CID 138582721
3-(3,5-dimethylpyrazol-1-yl)benzaldehyde;hydrochloride
CID 46735947
8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 22143387
3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid
CID 163333857

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene (CID 171972788) is 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene is Cc1cc(C)n(-c2cccc(C3=CC4CCCC(C3)N4C)c2)n1.
What is the InChIKey of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is QJBQFGGHODSBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-14-10-15(2)23(21-14)20-9-4-6-16(11-20)17-12-18-7-5-8-19(13-17)22(18)3/h4,6,9-12,18-19H,5,7-8,13H2,1-3H3.
What are the key properties of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 307.44 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 171972788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).