3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole

C24H21BrN2O — CID 3757928

IUPAC3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole
SMILESBrc1ccc(C2C3CCCC(=Cc4ccco4)C3=NN2c2ccccc2)cc1
InChIInChI=1S/C24H21BrN2O/c25-19-13-11-17(12-14-19)24-22-10-4-6-18(16-21-9-5-15-28-21)23(22)26-27(24)20-7-2-1-3-8-20/h1-3,5,7-9,11-16,22,24H,4,6,10H2
InChIKeyRZJCTHGSILXXSP-UHFFFAOYSA-N
MW433.35 g/mol
LogP6.84
Rot. Bonds3

About 3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole

3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole (PubChem CID 3757928) has the molecular formula C24H21BrN2O and a molecular weight of 433.35 g/mol. Its IUPAC name is 3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole
PubChem CID3757928
Molecular FormulaC24H21BrN2O
Molecular Weight433.35 g/mol
Exact Mass432.08
IUPAC Name3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole
SMILESBrc1ccc(C2C3CCCC(=Cc4ccco4)C3=NN2c2ccccc2)cc1
InChIInChI=1S/C24H21BrN2O/c25-19-13-11-17(12-14-19)24-22-10-4-6-18(16-21-9-5-15-28-21)23(22)26-27(24)20-7-2-1-3-8-20/h1-3,5,7-9,11-16,22,24H,4,6,10H2
InChIKeyRZJCTHGSILXXSP-UHFFFAOYSA-N
XLogP6.84
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.35
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(E)-furan-2-ylmethylideneamino]aniline
CID 9652867
5-(Furan-2-yl)-2,3-diphenyl-3,4-dihydropyrazole
CID 4737250
2-(4-Bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole
CID 171358324
N-benzyl-N-(furan-2-ylmethylideneamino)aniline
CID 4200893
7-Furfurylidene-2,3-diphenyl-3,3a,4,5,6,7-hexahydroindazole
CID 3705523
5-(4-bromophenyl)-3-(5-methyl-2-furyl)-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazole
CID 3089897
3-(4-Bromophenyl)-2-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazole
CID 3097990
(3S)-3-(4-bromophenyl)-2-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazole
CID 7295964
(3R)-3-(4-bromophenyl)-2-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazole
CID 7295965
(3R)-3-(4-bromophenyl)-5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 25750039
(3S)-3-(4-bromophenyl)-5-(5-methylfuran-2-yl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 25750042
(7E)-7-(furan-2-ylmethylidene)-3-(3-nitrophenyl)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole
CID 5818937

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole?
The IUPAC name of 3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole (CID 3757928) is 3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole.
What is the SMILES notation for 3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole?
The canonical SMILES for 3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole is Brc1ccc(C2C3CCCC(=Cc4ccco4)C3=NN2c2ccccc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole?
The InChIKey is RZJCTHGSILXXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O/c25-19-13-11-17(12-14-19)24-22-10-4-6-18(16-21-9-5-15-28-21)23(22)26-27(24)20-7-2-1-3-8-20/h1-3,5,7-9,11-16,22,24H,4,6,10H2.
What are the key properties of 3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole?
3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole has a molecular weight of 433.35 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole is sourced from PubChem (CID 3757928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).