8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole

C141H167ClN24O — CID 163450978

IUPAC8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole
SMILESCC1Cc2c(cccc2C(C)(C)C)CN1c1cnn(C)c1.Cc1c(-c2cnn(C)c2)ncc2c(C(C)(C)C)cccc12.Cc1nc(-c2cnn(C)c2)cc2cccc(C(C)(C)C)c12.Cn1cc(-c2cc3cc(Cl)cc(C(C)(C)C)c3cn2)cn1.Cn1cc(-c2ccc3c(C(C)(C)C)cccc3c2)cn1.Cn1cc(-c2ncc3c(C(C)(C)C)cccc3c2C#N)cn1.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2)cn1.Cn1cc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1
InChIInChI=1S/C18H18N4.C18H25N3.2C18H21N3.C18H20N2.C17H18ClN3.C17H21N3O.C17H23N3/c1-18(2,3)16-7-5-6-13-14(8-19)17(20-10-15(13)16)12-9-21-22(4)11-12;1-13-9-16-14(7-6-8-17(16)18(2,3)4)11-21(13)15-10-19-20(5)12-15;1-12-14-7-6-8-16(18(2,3)4)15(14)10-19-17(12)13-9-20-21(5)11-13;1-12-17-13(7-6-8-15(17)18(2,3)4)9-16(20-12)14-10-19-21(5)11-14;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-17(2,3)15-7-13(18)5-11-6-16(19-9-14(11)15)12-8-20-21(4)10-12;1-17(2,3)15-7-5-6-12-10-20(16(21)8-14(12)15)13-9-18-19(4)11-13;1-17(2,3)16-7-5-6-13-11-20(9-8-15(13)16)14-10-18-19(4)12-14/h5-7,9-11H,1-4H3;6-8,10,12-13H,9,11H2,1-5H3;2*6-11H,1-5H3;5-12H,1-4H3;5-10H,1-4H3;5-7,9,11H,8,10H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3
InChIKeyBGOISYYGRLIYHH-UHFFFAOYSA-N
MW2249.51 g/mol
LogP31.17
Rot. Bonds8

About 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole

8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole (PubChem CID 163450978) has the molecular formula C141H167ClN24O and a molecular weight of 2249.51 g/mol. Its IUPAC name is 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole.

Molecular Properties

Compound Name8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole
PubChem CID163450978
Molecular FormulaC141H167ClN24O
Molecular Weight2249.51 g/mol
Exact Mass2247.34
IUPAC Name8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole
SMILESCC1Cc2c(cccc2C(C)(C)C)CN1c1cnn(C)c1.Cc1c(-c2cnn(C)c2)ncc2c(C(C)(C)C)cccc12.Cc1nc(-c2cnn(C)c2)cc2cccc(C(C)(C)C)c12.Cn1cc(-c2cc3cc(Cl)cc(C(C)(C)C)c3cn2)cn1.Cn1cc(-c2ccc3c(C(C)(C)C)cccc3c2)cn1.Cn1cc(-c2ncc3c(C(C)(C)C)cccc3c2C#N)cn1.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2)cn1.Cn1cc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1
InChIInChI=1S/C18H18N4.C18H25N3.2C18H21N3.C18H20N2.C17H18ClN3.C17H21N3O.C17H23N3/c1-18(2,3)16-7-5-6-13-14(8-19)17(20-10-15(13)16)12-9-21-22(4)11-12;1-13-9-16-14(7-6-8-17(16)18(2,3)4)11-21(13)15-10-19-20(5)12-15;1-12-14-7-6-8-16(18(2,3)4)15(14)10-19-17(12)13-9-20-21(5)11-13;1-12-17-13(7-6-8-15(17)18(2,3)4)9-16(20-12)14-10-19-21(5)11-14;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-17(2,3)15-7-13(18)5-11-6-16(19-9-14(11)15)12-8-20-21(4)10-12;1-17(2,3)15-7-5-6-12-10-20(16(21)8-14(12)15)13-9-18-19(4)11-13;1-17(2,3)16-7-5-6-13-11-20(9-8-15(13)16)14-10-18-19(4)12-14/h5-7,9-11H,1-4H3;6-8,10,12-13H,9,11H2,1-5H3;2*6-11H,1-5H3;5-12H,1-4H3;5-10H,1-4H3;5-7,9,11H,8,10H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3
InChIKeyBGOISYYGRLIYHH-UHFFFAOYSA-N
XLogP31.17
TPSA244.70 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds8
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002249.51
LogP ≤ 531.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole with MolForge

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Related Compounds

8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-ethyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158205999
5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene
CID 158274967
8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole
CID 159912943
8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;1-tert-butyl-6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indole;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;1-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole;2,2-dimethyl-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-1-one;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylindole-6-carbonitrile
CID 160037805
8-Tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline
CID 160730289
CID 161388435
CID 161388435
5-chloro-1,4-dimethylpyrazole;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;6-ethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6-methylspiro[1H-indene-3,4'-piperidine]-2-one;3-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;3-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,3-xylene;1,4-xylene
CID 161826174
8-Tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)quinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole
CID 163733968
8-Tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole
CID 164954643
8-Tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole
CID 164993744

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole?
The IUPAC name of 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole (CID 163450978) is 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole.
What is the SMILES notation for 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole?
The canonical SMILES for 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole is CC1Cc2c(cccc2C(C)(C)C)CN1c1cnn(C)c1.Cc1c(-c2cnn(C)c2)ncc2c(C(C)(C)C)cccc12.Cc1nc(-c2cnn(C)c2)cc2cccc(C(C)(C)C)c12.Cn1cc(-c2cc3cc(Cl)cc(C(C)(C)C)c3cn2)cn1.Cn1cc(-c2ccc3c(C(C)(C)C)cccc3c2)cn1.Cn1cc(-c2ncc3c(C(C)(C)C)cccc3c2C#N)cn1.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2)cn1.Cn1cc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1.
What is the InChIKey of 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole?
The InChIKey is BGOISYYGRLIYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4.C18H25N3.2C18H21N3.C18H20N2.C17H18ClN3.C17H21N3O.C17H23N3/c1-18(2,3)16-7-5-6-13-14(8-19)17(20-10-15(13)16)12-9-21-22(4)11-12;1-13-9-16-14(7-6-8-17(16)18(2,3)4)11-21(13)15-10-19-20(5)12-15;1-12-14-7-6-8-16(18(2,3)4)15(14)10-19-17(12)13-9-20-21(5)11-13;1-12-17-13(7-6-8-15(17)18(2,3)4)9-16(20-12)14-10-19-21(5)11-14;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-17(2,3)15-7-13(18)5-11-6-16(19-9-14(11)15)12-8-20-21(4)10-12;1-17(2,3)15-7-5-6-12-10-20(16(21)8-14(12)15)13-9-18-19(4)11-13;1-17(2,3)16-7-5-6-13-11-20(9-8-15(13)16)14-10-18-19(4)12-14/h5-7,9-11H,1-4H3;6-8,10,12-13H,9,11H2,1-5H3;2*6-11H,1-5H3;5-12H,1-4H3;5-10H,1-4H3;5-7,9,11H,8,10H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3.
What are the key properties of 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole?
8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole has a molecular weight of 2249.51 g/mol, XLogP of 31.17, 8 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole is sourced from PubChem (CID 163450978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).