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

C97H97F3N14O4 — CID 158422659

IUPAC3-[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
SMILESCCn1c2ccc(C)cc2c2cc(-n3nccc3-c3ccc(F)c(F)c3)ccc21.CCn1c2ccc(C)cc2c2cc(-n3nccc3COC3CCNCC3)ccc21.CCn1c2ccc(C)cc2c2cc(-n3nccc3COCC3CCCNC3)ccc21.CCn1c2ccc(O)cc2c2cc(-n3nccc3-c3ccc(OC)c(F)c3)ccc21
InChIInChI=1S/C25H30N4O.C24H19F2N3.C24H20FN3O2.C24H28N4O/c1-3-28-24-8-6-18(2)13-22(24)23-14-20(7-9-25(23)28)29-21(10-12-27-29)17-30-16-19-5-4-11-26-15-19;1-3-28-23-8-4-15(2)12-18(23)19-14-17(6-9-24(19)28)29-22(10-11-27-29)16-5-7-20(25)21(26)13-16;1-3-27-22-7-5-16(13-18(22)19-14-17(29)6-8-23(19)27)28-21(10-11-26-28)15-4-9-24(30-2)20(25)12-15;1-3-27-23-6-4-17(2)14-21(23)22-15-18(5-7-24(22)27)28-19(8-13-26-28)16-29-20-9-11-25-12-10-20/h6-10,12-14,19,26H,3-5,11,15-17H2,1-2H3;4-14H,3H2,1-2H3;4-14,29H,3H2,1-2H3;4-8,13-15,20,25H,3,9-12,16H2,1-2H3
InChIKeyHARDUTJWUQSFLK-UHFFFAOYSA-N
MW1579.93 g/mol
LogP21.18
Rot. Bonds18

About 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

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 (PubChem CID 158422659) has the molecular formula C97H97F3N14O4 and a molecular weight of 1579.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID158422659
Molecular FormulaC97H97F3N14O4
Molecular Weight1579.93 g/mol
Exact Mass1578.78
IUPAC Name3-[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
SMILESCCn1c2ccc(C)cc2c2cc(-n3nccc3-c3ccc(F)c(F)c3)ccc21.CCn1c2ccc(C)cc2c2cc(-n3nccc3COC3CCNCC3)ccc21.CCn1c2ccc(C)cc2c2cc(-n3nccc3COCC3CCCNC3)ccc21.CCn1c2ccc(O)cc2c2cc(-n3nccc3-c3ccc(OC)c(F)c3)ccc21
InChIInChI=1S/C25H30N4O.C24H19F2N3.C24H20FN3O2.C24H28N4O/c1-3-28-24-8-6-18(2)13-22(24)23-14-20(7-9-25(23)28)29-21(10-12-27-29)17-30-16-19-5-4-11-26-15-19;1-3-28-23-8-4-15(2)12-18(23)19-14-17(6-9-24(19)28)29-22(10-11-27-29)16-5-7-20(25)21(26)13-16;1-3-27-22-7-5-16(13-18(22)19-14-17(29)6-8-23(19)27)28-21(10-11-26-28)15-4-9-24(30-2)20(25)12-15;1-3-27-23-6-4-17(2)14-21(23)22-15-18(5-7-24(22)27)28-19(8-13-26-28)16-29-20-9-11-25-12-10-20/h6-10,12-14,19,26H,3-5,11,15-17H2,1-2H3;4-14H,3H2,1-2H3;4-14,29H,3H2,1-2H3;4-8,13-15,20,25H,3,9-12,16H2,1-2H3
InChIKeyHARDUTJWUQSFLK-UHFFFAOYSA-N
XLogP21.18
TPSA162.98 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001579.93
LogP ≤ 521.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-[2-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenoxy]ethyl-methylamino]indazol-5-yl]-5-ethylphenol
CID 145252205
3-[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrrolo[3,2-c]quinolin-8-yl]propanenitrile
CID 156892112
3-[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-(1-methylpyrazol-4-yl)-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrrolo[3,2-c]quinolin-8-yl]propanenitrile
CID 156892187
3-[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-(1-methylpyrazol-3-yl)-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrrolo[3,2-c]quinolin-8-yl]propanenitrile
CID 156892225
4-(3-methoxypropyl)-2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazine;1-(3-methoxypropyl)-3-methyl-6-propan-2-ylindazole;1-(3-methoxypropyl)-3-methyl-6-propan-2-ylindole;3-(3-methoxypropyl)-1-methyl-5-propan-2-ylindole;4-(3-methoxypropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-(3-methoxypropyl)-6-propan-2-ylindazole;1-(3-methoxypropyl)-6-propan-2-ylindole;3-(3-methoxypropyl)-5-propan-2-yl-1H-indole;1-(3-methoxypropyl)-6-propan-2-yl-3-(trifluoromethyl)indole
CID 157572970
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
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
3-[1-(2-Azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-(1-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrrolo[3,2-c]quinolin-8-yl]propanenitrile
CID 166791244
3-[1-(2-Azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-(1-methylpyrazol-4-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrrolo[3,2-c]quinolin-8-yl]propanenitrile
CID 166791291
8-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol;6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
CID 67638576
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c2ccc(C)cc2c2cc(-n3nccc3-c3ccc(F)c(F)c3)ccc21.CCn1c2ccc(C)cc2c2cc(-n3nccc3COC3CCNCC3)ccc21.CCn1c2ccc(C)cc2c2cc(-n3nccc3COCC3CCCNC3)ccc21.CCn1c2ccc(O)cc2c2cc(-n3nccc3-c3ccc(OC)c(F)c3)ccc21.
What is the InChIKey of 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?
The InChIKey is HARDUTJWUQSFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O.C24H19F2N3.C24H20FN3O2.C24H28N4O/c1-3-28-24-8-6-18(2)13-22(24)23-14-20(7-9-25(23)28)29-21(10-12-27-29)17-30-16-19-5-4-11-26-15-19;1-3-28-23-8-4-15(2)12-18(23)19-14-17(6-9-24(19)28)29-22(10-11-27-29)16-5-7-20(25)21(26)13-16;1-3-27-22-7-5-16(13-18(22)19-14-17(29)6-8-23(19)27)28-21(10-11-26-28)15-4-9-24(30-2)20(25)12-15;1-3-27-23-6-4-17(2)14-21(23)22-15-18(5-7-24(22)27)28-19(8-13-26-28)16-29-20-9-11-25-12-10-20/h6-10,12-14,19,26H,3-5,11,15-17H2,1-2H3;4-14H,3H2,1-2H3;4-14,29H,3H2,1-2H3;4-8,13-15,20,25H,3,9-12,16H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1579.93 g/mol, XLogP of 21.18, 18 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158422659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).