1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine

C16H20BrN3 — CID 104508601

IUPAC1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
SMILESCc1cc(Br)ccc1-n1ncc2c1CC(C)(C)CC2N
InChIInChI=1S/C16H20BrN3/c1-10-6-11(17)4-5-14(10)20-15-8-16(2,3)7-13(18)12(15)9-19-20/h4-6,9,13H,7-8,18H2,1-3H3
InChIKeyYDRKFWORVNJUOG-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.92
Rot. Bonds1

About 1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine

1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine (PubChem CID 104508601) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
PubChem CID104508601
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
SMILESCc1cc(Br)ccc1-n1ncc2c1CC(C)(C)CC2N
InChIInChI=1S/C16H20BrN3/c1-10-6-11(17)4-5-14(10)20-15-8-16(2,3)7-13(18)12(15)9-19-20/h4-6,9,13H,7-8,18H2,1-3H3
InChIKeyYDRKFWORVNJUOG-UHFFFAOYSA-N
XLogP3.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine (CID 104508601) is 1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine is Cc1cc(Br)ccc1-n1ncc2c1CC(C)(C)CC2N.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
The InChIKey is YDRKFWORVNJUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-10-6-11(17)4-5-14(10)20-15-8-16(2,3)7-13(18)12(15)9-19-20/h4-6,9,13H,7-8,18H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine has a molecular weight of 334.26 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine is sourced from PubChem (CID 104508601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).