2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole

C21H24N2 — CID 2738085

IUPAC2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole
SMILESCC(C)c1ccc(C2C3CCc4ccccc4C3=NN2C)cc1
InChIInChI=1S/C21H24N2/c1-14(2)15-8-10-17(11-9-15)21-19-13-12-16-6-4-5-7-18(16)20(19)22-23(21)3/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyAMUNDWYSBUXTHK-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.76
Rot. Bonds2

About 2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole

2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole (PubChem CID 2738085) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole.

Molecular Properties

Compound Name2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole
PubChem CID2738085
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole
SMILESCC(C)c1ccc(C2C3CCc4ccccc4C3=NN2C)cc1
InChIInChI=1S/C21H24N2/c1-14(2)15-8-10-17(11-9-15)21-19-13-12-16-6-4-5-7-18(16)20(19)22-23(21)3/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyAMUNDWYSBUXTHK-UHFFFAOYSA-N
XLogP4.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole?
The IUPAC name of 2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole (CID 2738085) is 2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole.
What is the SMILES notation for 2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole?
The canonical SMILES for 2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole is CC(C)c1ccc(C2C3CCc4ccccc4C3=NN2C)cc1.
What is the InChIKey of 2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole?
The InChIKey is AMUNDWYSBUXTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-14(2)15-8-10-17(11-9-15)21-19-13-12-16-6-4-5-7-18(16)20(19)22-23(21)3/h4-11,14,19,21H,12-13H2,1-3H3.
What are the key properties of 2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole?
2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole has a molecular weight of 304.44 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole is sourced from PubChem (CID 2738085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).