6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline

C21H25N3 — CID 158614768

IUPAC6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline
SMILESCc1cc(-c2nccc3cc4c(cc23)C(C)(C)CCC4(C)C)n[nH]1
InChIInChI=1S/C21H25N3/c1-13-10-18(24-23-13)19-15-12-17-16(11-14(15)6-9-22-19)20(2,3)7-8-21(17,4)5/h6,9-12H,7-8H2,1-5H3,(H,23,24)
InChIKeyYSRQRXSCFSNHMO-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.28
Rot. Bonds1

About 6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline

6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline (PubChem CID 158614768) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline.

Molecular Properties

Compound Name6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline
PubChem CID158614768
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline
SMILESCc1cc(-c2nccc3cc4c(cc23)C(C)(C)CCC4(C)C)n[nH]1
InChIInChI=1S/C21H25N3/c1-13-10-18(24-23-13)19-15-12-17-16(11-14(15)6-9-22-19)20(2,3)7-8-21(17,4)5/h6,9-12H,7-8H2,1-5H3,(H,23,24)
InChIKeyYSRQRXSCFSNHMO-UHFFFAOYSA-N
XLogP5.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline?
The IUPAC name of 6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline (CID 158614768) is 6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline.
What is the SMILES notation for 6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline?
The canonical SMILES for 6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline is Cc1cc(-c2nccc3cc4c(cc23)C(C)(C)CCC4(C)C)n[nH]1.
What is the InChIKey of 6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline?
The InChIKey is YSRQRXSCFSNHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-13-10-18(24-23-13)19-15-12-17-16(11-14(15)6-9-22-19)20(2,3)7-8-21(17,4)5/h6,9-12H,7-8H2,1-5H3,(H,23,24).
What are the key properties of 6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline?
6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline has a molecular weight of 319.45 g/mol, XLogP of 5.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,9,9-tetramethyl-1-(5-methyl-1H-pyrazol-3-yl)-7,8-dihydrobenzo[g]isoquinoline is sourced from PubChem (CID 158614768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).