N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine

C20H20BrN3O2 — CID 18445583

IUPACN-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)C(C)(C)c1c(Nc3cccc(Br)c3)n[nH]c1-2
InChIInChI=1S/C20H20BrN3O2/c1-20(2)14-10-16(26-4)15(25-3)9-13(14)18-17(20)19(24-23-18)22-12-7-5-6-11(21)8-12/h5-10H,1-4H3,(H2,22,23,24)
InChIKeyNTEROUZXFTYNLW-UHFFFAOYSA-N
MW414.30 g/mol
LogP5.24
Rot. Bonds4

About N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine

N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine (PubChem CID 18445583) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine
PubChem CID18445583
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC NameN-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)C(C)(C)c1c(Nc3cccc(Br)c3)n[nH]c1-2
InChIInChI=1S/C20H20BrN3O2/c1-20(2)14-10-16(26-4)15(25-3)9-13(14)18-17(20)19(24-23-18)22-12-7-5-6-11(21)8-12/h5-10H,1-4H3,(H2,22,23,24)
InChIKeyNTEROUZXFTYNLW-UHFFFAOYSA-N
XLogP5.24
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.30
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 11569396
6,7-dimethoxy-N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 10359698
3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
CID 18445564
[3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol
CID 18445566
N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445506
6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol
CID 143051410
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
(4S)-N-(3-ethoxyphenyl)-4-ethyl-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 58824981
N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine
CID 10692410
1-fluoro-3-isothiocyanatobenzene;N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 159869809
4-N-(3-bromophenyl)benzene-1,2,4-triamine
CID 106750334

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine (CID 18445583) is N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine is COc1cc2c(cc1OC)C(C)(C)c1c(Nc3cccc(Br)c3)n[nH]c1-2.
What is the InChIKey of N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine?
The InChIKey is NTEROUZXFTYNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-20(2)14-10-16(26-4)15(25-3)9-13(14)18-17(20)19(24-23-18)22-12-7-5-6-11(21)8-12/h5-10H,1-4H3,(H2,22,23,24).
What are the key properties of N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine?
N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine has a molecular weight of 414.30 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).