1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole

C77H103ClF7N9 — CID 161241234

IUPAC1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole
SMILESC=C(C)c1cn(C(C)C)c2c(CC)cccc12.CC(C)c1cccc(Cl)c1.CC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)n1ccc(C(C)(F)F)n1.CC(C)n1ccc2cnccc21.CC(C)n1nc(C(C)(F)F)cc1C1CC1.Cc1cn(C(C)C)c(C)c1C
InChIInChI=1S/C16H21N.C13H14F3N.C11H16F2N2.C10H12N2.C10H17N.C9H11Cl.C8H12F2N2/c1-6-13-8-7-9-14-15(11(2)3)10-17(12(4)5)16(13)14;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-7(2)11-6-8(3)9(4)10(11)5;1-7(2)8-4-3-5-9(10)6-8;1-6(2)12-5-4-7(11-12)8(3,9)10/h7-10,12H,2,6H2,1,3-5H3;4-8H,1-3H3;6-8H,4-5H2,1-3H3;3-8H,1-2H3;6-7H,1-5H3;3-7H,1-2H3;4-6H,1-3H3
InChIKeyVAALCMLPPFNXLV-UHFFFAOYSA-N
MW1323.17 g/mol
LogP24.24
Rot. Bonds12

About 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole

1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole (PubChem CID 161241234) has the molecular formula C77H103ClF7N9 and a molecular weight of 1323.17 g/mol. Its IUPAC name is 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole.

Molecular Properties

Compound Name1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole
PubChem CID161241234
Molecular FormulaC77H103ClF7N9
Molecular Weight1323.17 g/mol
Exact Mass1321.79
IUPAC Name1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole
SMILESC=C(C)c1cn(C(C)C)c2c(CC)cccc12.CC(C)c1cccc(Cl)c1.CC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)n1ccc(C(C)(F)F)n1.CC(C)n1ccc2cnccc21.CC(C)n1nc(C(C)(F)F)cc1C1CC1.Cc1cn(C(C)C)c(C)c1C
InChIInChI=1S/C16H21N.C13H14F3N.C11H16F2N2.C10H12N2.C10H17N.C9H11Cl.C8H12F2N2/c1-6-13-8-7-9-14-15(11(2)3)10-17(12(4)5)16(13)14;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-7(2)11-6-8(3)9(4)10(11)5;1-7(2)8-4-3-5-9(10)6-8;1-6(2)12-5-4-7(11-12)8(3,9)10/h7-10,12H,2,6H2,1,3-5H3;4-8H,1-3H3;6-8H,4-5H2,1-3H3;3-8H,1-2H3;6-7H,1-5H3;3-7H,1-2H3;4-6H,1-3H3
InChIKeyVAALCMLPPFNXLV-UHFFFAOYSA-N
XLogP24.24
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001323.17
LogP ≤ 524.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole with MolForge

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Related Compounds

3-[[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-(1-ethyl-2-phenylindol-3-yl)methyl]-1-ethyl-2-phenylindole
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3-[1-[[5-Chloro-2-(trifluoromethyl)phenyl]methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole
CID 87239088
3-[1-[(2-Chloro-6-fluorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole
CID 87239104
3-[1-[(2-Chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole
CID 87239243
3-[1-[(2-Chloro-4-fluorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole
CID 87240387
3-[1-[(4-Chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole
CID 87240419
6-Chloro-8-(1-propan-2-ylpyrazol-4-yl)-9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indole
CID 134483378
6-Chloro-8-[1-(2-methylpropyl)pyrazol-4-yl]-9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indole
CID 134483396
8-(1-Benzylpyrazol-4-yl)-6-chloro-9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indole
CID 134483624
6-Chloro-8-[1-(cyclopropylmethyl)pyrazol-4-yl]-9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indole
CID 134483637
2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole
CID 158236932
1-Cyclopropyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(difluoromethyl)-5-(4-propan-2-yl-2-pyridinyl)indazole;2-(difluoromethyl)-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2-ethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole
CID 158334660

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole?
The IUPAC name of 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole (CID 161241234) is 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole.
What is the SMILES notation for 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole?
The canonical SMILES for 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole is C=C(C)c1cn(C(C)C)c2c(CC)cccc12.CC(C)c1cccc(Cl)c1.CC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)n1ccc(C(C)(F)F)n1.CC(C)n1ccc2cnccc21.CC(C)n1nc(C(C)(F)F)cc1C1CC1.Cc1cn(C(C)C)c(C)c1C.
What is the InChIKey of 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole?
The InChIKey is VAALCMLPPFNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N.C13H14F3N.C11H16F2N2.C10H12N2.C10H17N.C9H11Cl.C8H12F2N2/c1-6-13-8-7-9-14-15(11(2)3)10-17(12(4)5)16(13)14;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-7(2)11-6-8(3)9(4)10(11)5;1-7(2)8-4-3-5-9(10)6-8;1-6(2)12-5-4-7(11-12)8(3,9)10/h7-10,12H,2,6H2,1,3-5H3;4-8H,1-3H3;6-8H,4-5H2,1-3H3;3-8H,1-2H3;6-7H,1-5H3;3-7H,1-2H3;4-6H,1-3H3.
What are the key properties of 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole?
1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole has a molecular weight of 1323.17 g/mol, XLogP of 24.24, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole is sourced from PubChem (CID 161241234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).