1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole

C90H78N12O — CID 157344830

IUPAC1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole
SMILESCCn1c2ccccc2c2cc(-n3nccc3-c3cccc(C)c3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3cccc(OC)c3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccccc3)ccc21.Cc1cc2cc(-n3nccc3-c3ccccc3)ccc2n1C
InChIInChI=1S/C24H21N3O.C24H21N3.C23H19N3.C19H17N3/c1-3-26-23-10-5-4-9-20(23)21-16-18(11-12-24(21)26)27-22(13-14-25-27)17-7-6-8-19(15-17)28-2;1-3-26-23-10-5-4-9-20(23)21-16-19(11-12-24(21)26)27-22(13-14-25-27)18-8-6-7-17(2)15-18;1-2-25-22-11-7-6-10-19(22)20-16-18(12-13-23(20)25)26-21(14-15-24-26)17-8-4-3-5-9-17;1-14-12-16-13-17(8-9-18(16)21(14)2)22-19(10-11-20-22)15-6-4-3-5-7-15/h4-16H,3H2,1-2H3;4-16H,3H2,1-2H3;3-16H,2H2,1H3;3-13H,1-2H3
InChIKeyBGVGWJBWXOLOIK-UHFFFAOYSA-N
MW1343.70 g/mol
LogP21.66
Rot. Bonds12

About 1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole

1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole (PubChem CID 157344830) has the molecular formula C90H78N12O and a molecular weight of 1343.70 g/mol. Its IUPAC name is 1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole.

Molecular Properties

Compound Name1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole
PubChem CID157344830
Molecular FormulaC90H78N12O
Molecular Weight1343.70 g/mol
Exact Mass1342.64
IUPAC Name1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole
SMILESCCn1c2ccccc2c2cc(-n3nccc3-c3cccc(C)c3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3cccc(OC)c3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccccc3)ccc21.Cc1cc2cc(-n3nccc3-c3ccccc3)ccc2n1C
InChIInChI=1S/C24H21N3O.C24H21N3.C23H19N3.C19H17N3/c1-3-26-23-10-5-4-9-20(23)21-16-18(11-12-24(21)26)27-22(13-14-25-27)17-7-6-8-19(15-17)28-2;1-3-26-23-10-5-4-9-20(23)21-16-19(11-12-24(21)26)27-22(13-14-25-27)18-8-6-7-17(2)15-18;1-2-25-22-11-7-6-10-19(22)20-16-18(12-13-23(20)25)26-21(14-15-24-26)17-8-4-3-5-9-17;1-14-12-16-13-17(8-9-18(16)21(14)2)22-19(10-11-20-22)15-6-4-3-5-7-15/h4-16H,3H2,1-2H3;4-16H,3H2,1-2H3;3-16H,2H2,1H3;3-13H,1-2H3
InChIKeyBGVGWJBWXOLOIK-UHFFFAOYSA-N
XLogP21.66
TPSA100.23 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001343.70
LogP ≤ 521.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

1-[[1-[(4-Methoxyphenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole
CID 44583472
1-[(1-Benzyltriazol-4-yl)methyl]-3-[[1-[(1-benzyltriazol-4-yl)methyl]indol-3-yl]-(4-methoxyphenyl)methyl]indole
CID 44583473
3-[(4-Methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole
CID 44583475
1-(2-Fluoro-4-pyrazol-1-ylphenyl)-5-methoxy-3-(2-phenylpyrazol-3-yl)indole
CID 152339199
9-[[3,5-bis[[3,6-bis(4-methyl-N-(4-methylphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methylphenyl)carbazole-3,6-diamine;9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 157577698
4-[2-Fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 158015518
9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 158670512
1-(2-tert-butyl-1H-inden-5-yl)-5-phenylpyrazole;9-ethyl-6-(5-phenylpyrazol-1-yl)carbazol-3-ol;2-[1-methyl-5-(5-phenylpyrazol-1-yl)indol-3-yl]ethanol;9-methyl-6-(5-phenylpyrazol-1-yl)-1,2,3,4-tetrahydrocarbazole;5-phenyl-1-[7-(trifluoromethyl)-1H-inden-5-yl]pyrazole
CID 159251693
1-(2-tert-butyl-1H-inden-5-yl)-5-phenylpyrazole;9-ethyl-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]pyrazol-1-yl]carbazole;9-ethyl-6-(5-phenylpyrazol-1-yl)carbazol-3-ol;9-methyl-6-(5-phenylpyrazol-1-yl)-1,2,3,4-tetrahydrocarbazole;5-phenyl-1-[7-(trifluoromethyl)-1H-inden-5-yl]pyrazole
CID 160205536
4-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]phenol;9-ethyl-3-fluoro-6-(5-phenylpyrazol-1-yl)carbazole;9-ethyl-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]pyrazol-1-yl]carbazole;9-ethyl-6-(5-phenylpyrazol-1-yl)carbazol-3-ol;9-methyl-6-(5-phenylpyrazol-1-yl)-1,2,3,4-tetrahydrocarbazole;5-phenyl-1-[7-(trifluoromethyl)-1H-inden-5-yl]pyrazole
CID 160913643
4-(1-Methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one
CID 161035423
3-[[5-[[3-[Bis(1-methylindol-3-yl)methyl]-4-methoxyphenyl]methyl]-2-methoxyphenyl]-(1-methylindol-3-yl)methyl]-1-methylindole
CID 139225228

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole?
The IUPAC name of 1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole (CID 157344830) is 1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole.
What is the SMILES notation for 1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole?
The canonical SMILES for 1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole is CCn1c2ccccc2c2cc(-n3nccc3-c3cccc(C)c3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3cccc(OC)c3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccccc3)ccc21.Cc1cc2cc(-n3nccc3-c3ccccc3)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole?
The InChIKey is BGVGWJBWXOLOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O.C24H21N3.C23H19N3.C19H17N3/c1-3-26-23-10-5-4-9-20(23)21-16-18(11-12-24(21)26)27-22(13-14-25-27)17-7-6-8-19(15-17)28-2;1-3-26-23-10-5-4-9-20(23)21-16-19(11-12-24(21)26)27-22(13-14-25-27)18-8-6-7-17(2)15-18;1-2-25-22-11-7-6-10-19(22)20-16-18(12-13-23(20)25)26-21(14-15-24-26)17-8-4-3-5-9-17;1-14-12-16-13-17(8-9-18(16)21(14)2)22-19(10-11-20-22)15-6-4-3-5-7-15/h4-16H,3H2,1-2H3;4-16H,3H2,1-2H3;3-16H,2H2,1H3;3-13H,1-2H3.
What are the key properties of 1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole?
1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole has a molecular weight of 1343.70 g/mol, XLogP of 21.66, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole is sourced from PubChem (CID 157344830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).