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

C106H94F3N13O2 — CID 159251693

IUPAC1-(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
SMILESCC(C)(C)C1=Cc2cc(-n3nccc3-c3ccccc3)ccc2C1.CCn1c2ccc(O)cc2c2cc(-n3nccc3-c3ccccc3)ccc21.Cn1c2c(c3cc(-n4nccc4-c4ccccc4)ccc31)CCCC2.Cn1cc(CCO)c2cc(-n3nccc3-c3ccccc3)ccc21.FC(F)(F)c1cc(-n2nccc2-c2ccccc2)cc2c1CC=C2
InChIInChI=1S/C23H19N3O.C22H21N3.C22H22N2.C20H19N3O.C19H13F3N2/c1-2-25-22-10-8-17(14-19(22)20-15-18(27)9-11-23(20)25)26-21(12-13-24-26)16-6-4-3-5-7-16;1-24-21-10-6-5-9-18(21)19-15-17(11-12-22(19)24)25-20(13-14-23-25)16-7-3-2-4-8-16;1-22(2,3)19-13-17-9-10-20(15-18(17)14-19)24-21(11-12-23-24)16-7-5-4-6-8-16;1-22-14-16(10-12-24)18-13-17(7-8-20(18)22)23-19(9-11-21-23)15-5-3-2-4-6-15;20-19(21,22)17-12-15(11-14-7-4-8-16(14)17)24-18(9-10-23-24)13-5-2-1-3-6-13/h3-15,27H,2H2,1H3;2-4,7-8,11-15H,5-6,9-10H2,1H3;4-12,14-15H,13H2,1-3H3;2-9,11,13-14,24H,10,12H2,1H3;1-7,9-12H,8H2
InChIKeyKVJMCKCZUORSNI-UHFFFAOYSA-N
MW1639.00 g/mol
LogP24.50
Rot. Bonds13

About 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

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 (PubChem CID 159251693) has the molecular formula C106H94F3N13O2 and a molecular weight of 1639.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159251693
Molecular FormulaC106H94F3N13O2
Molecular Weight1639.00 g/mol
Exact Mass1637.76
IUPAC Name1-(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
SMILESCC(C)(C)C1=Cc2cc(-n3nccc3-c3ccccc3)ccc2C1.CCn1c2ccc(O)cc2c2cc(-n3nccc3-c3ccccc3)ccc21.Cn1c2c(c3cc(-n4nccc4-c4ccccc4)ccc31)CCCC2.Cn1cc(CCO)c2cc(-n3nccc3-c3ccccc3)ccc21.FC(F)(F)c1cc(-n2nccc2-c2ccccc2)cc2c1CC=C2
InChIInChI=1S/C23H19N3O.C22H21N3.C22H22N2.C20H19N3O.C19H13F3N2/c1-2-25-22-10-8-17(14-19(22)20-15-18(27)9-11-23(20)25)26-21(12-13-24-26)16-6-4-3-5-7-16;1-24-21-10-6-5-9-18(21)19-15-17(11-12-22(19)24)25-20(13-14-23-25)16-7-3-2-4-8-16;1-22(2,3)19-13-17-9-10-20(15-18(17)14-19)24-21(11-12-23-24)16-7-5-4-6-8-16;1-22-14-16(10-12-24)18-13-17(7-8-20(18)22)23-19(9-11-21-23)15-5-3-2-4-6-15;20-19(21,22)17-12-15(11-14-7-4-8-16(14)17)24-18(9-10-23-24)13-5-2-1-3-6-13/h3-15,27H,2H2,1H3;2-4,7-8,11-15H,5-6,9-10H2,1H3;4-12,14-15H,13H2,1-3H3;2-9,11,13-14,24H,10,12H2,1H3;1-7,9-12H,8H2
InChIKeyKVJMCKCZUORSNI-UHFFFAOYSA-N
XLogP24.50
TPSA144.35 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001639.00
LogP ≤ 524.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-[3-(dimethylamino)-4-fluorophenyl]methanol;(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(6-fluoro-3-pyridinyl)methanol;(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(4-fluoro-3-pyrrol-1-ylphenyl)methanol;(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-[3-(trifluoromethoxy)phenyl]methanol
CID 157705919
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-[2-(9-Ethylcarbazol-3-yl)pyrazol-3-yl]phenol;4-[2-[4-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]phenyl]ethyl]morpholine;9-ethyl-3-[5-(4-fluorophenyl)pyrazol-1-yl]carbazole;9-ethyl-3-fluoro-6-(5-phenylpyrazol-1-yl)carbazole;9-ethyl-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]pyrazol-1-yl]carbazole
CID 161428045
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
3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;9-methyl-3-N,3-N,6-N,6-N-tetrakis(4-methylphenyl)carbazole-3,6-diamine;3,6,9-trimethylcarbazole
CID 157997561
3-Tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole
CID 158230815
3-[5-(3,4-Difluorophenyl)pyrazol-1-yl]-9-ethyl-6-methylcarbazole;9-ethyl-6-[5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]carbazol-3-ol;9-ethyl-3-methyl-6-[5-(piperidin-3-ylmethoxymethyl)pyrazol-1-yl]carbazole;9-ethyl-3-methyl-6-[5-(piperidin-4-yloxymethyl)pyrazol-1-yl]carbazole
CID 158422659
4-[2-(9-Ethylcarbazol-3-yl)pyrazol-3-yl]phenol;4-[2-[4-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]phenyl]ethyl]morpholine;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 158554566
1-(2-tert-butyl-1H-inden-5-yl)-5-phenylpyrazole;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;2-[1-methyl-5-(5-phenylpyrazol-1-yl)indol-3-yl]ethanol
CID 159167503
4-[2-(9-Ethylcarbazol-3-yl)pyrazol-3-yl]phenol;4-[2-[4-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]phenyl]ethyl]morpholine;9-ethyl-3-[5-(4-fluorophenyl)pyrazol-1-yl]carbazole;9-ethyl-3-fluoro-6-(5-phenylpyrazol-1-yl)carbazole
CID 159768823
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;2-[1-methyl-5-(5-phenylpyrazol-1-yl)indol-3-yl]ethanol
CID 160906611

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1=Cc2cc(-n3nccc3-c3ccccc3)ccc2C1.CCn1c2ccc(O)cc2c2cc(-n3nccc3-c3ccccc3)ccc21.Cn1c2c(c3cc(-n4nccc4-c4ccccc4)ccc31)CCCC2.Cn1cc(CCO)c2cc(-n3nccc3-c3ccccc3)ccc21.FC(F)(F)c1cc(-n2nccc2-c2ccccc2)cc2c1CC=C2.
What is the InChIKey of 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?
The InChIKey is KVJMCKCZUORSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O.C22H21N3.C22H22N2.C20H19N3O.C19H13F3N2/c1-2-25-22-10-8-17(14-19(22)20-15-18(27)9-11-23(20)25)26-21(12-13-24-26)16-6-4-3-5-7-16;1-24-21-10-6-5-9-18(21)19-15-17(11-12-22(19)24)25-20(13-14-23-25)16-7-3-2-4-8-16;1-22(2,3)19-13-17-9-10-20(15-18(17)14-19)24-21(11-12-23-24)16-7-5-4-6-8-16;1-22-14-16(10-12-24)18-13-17(7-8-20(18)22)23-19(9-11-21-23)15-5-3-2-4-6-15;20-19(21,22)17-12-15(11-14-7-4-8-16(14)17)24-18(9-10-23-24)13-5-2-1-3-6-13/h3-15,27H,2H2,1H3;2-4,7-8,11-15H,5-6,9-10H2,1H3;4-12,14-15H,13H2,1-3H3;2-9,11,13-14,24H,10,12H2,1H3;1-7,9-12H,8H2.
What are the key properties of 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?
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 has a molecular weight of 1639.00 g/mol, XLogP of 24.50, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159251693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).