1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline

C135H165Cl2N17O — CID 158109024

IUPAC1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline
SMILESCC(=O)Nc1ccc(C(C)C)cn1.CC(C)C1=CCCCCC1.CC(C)c1ccc2cccn2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1cccc2ccncc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1cnn(-c2ccccc2Cl)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn2ccccc12.Cc1cc(C(C)C)ccn1.Cc1ccc(-n2cc(C(C)C)cn2)c(Cl)c1
InChIInChI=1S/C13H15ClN2.C12H13ClN2.C12H15N3.4C12H13N.C11H13N.C10H14N2O.C10H12N2.C10H18.C9H13N/c1-9(2)11-7-15-16(8-11)13-5-4-10(3)6-12(13)14;1-9(2)10-7-14-15(8-10)12-6-4-3-5-11(12)13;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)10-5-6-11-4-3-7-12(11)8-10;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-9(2)10-7-5-3-4-6-8-10;1-7(2)9-4-5-10-8(3)6-9/h4-9H,1-3H3;3-9H,1-2H3;3-8,10H,9H2,1-2H3;4*3-9H,1-2H3;3-9H,1-2H3;4-7H,1-3H3,(H,11,12,13);3-8H,1-2H3;7,9H,3-6,8H2,1-2H3;4-7H,1-3H3
InChIKeyFQEORUJHXBJIRE-UHFFFAOYSA-N
MW2112.83 g/mol
LogP37.22
Rot. Bonds17

About 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline

1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline (PubChem CID 158109024) has the molecular formula C135H165Cl2N17O and a molecular weight of 2112.83 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline
PubChem CID158109024
Molecular FormulaC135H165Cl2N17O
Molecular Weight2112.83 g/mol
Exact Mass2110.28
IUPAC Name1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline
SMILESCC(=O)Nc1ccc(C(C)C)cn1.CC(C)C1=CCCCCC1.CC(C)c1ccc2cccn2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1cccc2ccncc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1cnn(-c2ccccc2Cl)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn2ccccc12.Cc1cc(C(C)C)ccn1.Cc1ccc(-n2cc(C(C)C)cn2)c(Cl)c1
InChIInChI=1S/C13H15ClN2.C12H13ClN2.C12H15N3.4C12H13N.C11H13N.C10H14N2O.C10H12N2.C10H18.C9H13N/c1-9(2)11-7-15-16(8-11)13-5-4-10(3)6-12(13)14;1-9(2)10-7-14-15(8-10)12-6-4-3-5-11(12)13;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)10-5-6-11-4-3-7-12(11)8-10;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-9(2)10-7-5-3-4-6-8-10;1-7(2)9-4-5-10-8(3)6-9/h4-9H,1-3H3;3-9H,1-2H3;3-8,10H,9H2,1-2H3;4*3-9H,1-2H3;3-9H,1-2H3;4-7H,1-3H3,(H,11,12,13);3-8H,1-2H3;7,9H,3-6,8H2,1-2H3;4-7H,1-3H3
InChIKeyFQEORUJHXBJIRE-UHFFFAOYSA-N
XLogP37.22
TPSA194.50 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002112.83
LogP ≤ 537.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline with MolForge

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Related Compounds

1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylcyclohexene;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;4-methyl-1-propan-2-ylcyclohexene;1-propan-2-ylcycloheptene;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 157476195
9-(6-amino-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 157784741
7-cyclopropyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;N-[5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;7-ethenyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;7-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;7-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(1-methylpyrazol-4-yl)-1-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 158178477
3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 159115619
1-(2-chlorophenyl)-4-propan-2-ylpyrazole;1-cyclobutyl-4-propan-2-ylpyrazole;2-cyclohexyl-5-propan-2-yl-1,3,4-oxadiazole;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylcyclohexene;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;4-methyl-1-propan-2-ylcyclohexene;2-methyl-4-propan-2-ylpyridine;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;1-propan-2-ylcycloheptene;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 159281142
9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 159444079
1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-cyclohexyl-5-propan-2-yl-1,3,4-oxadiazole;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylcyclohexene;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;bis(2-methyl-N-phenylpropanamide);4-methyl-1-propan-2-ylcyclohexene;2-methyl-4-propan-2-ylpyridine;2-phenyl-4-propan-2-ylpiperidine;1-propan-2-ylcycloheptene;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 159518652
5-(8-chloroquinolin-6-yl)-3-N-[(4-methylpiperazin-1-yl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 160202825
1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-cyclobutyl-4-propan-2-ylpyrazole;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine;3,5-dimethyl-1-propan-2-ylcyclohexene;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;bis(2-methyl-N-phenylpropanamide);4-methyl-1-propan-2-ylcyclohexene;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylcycloheptene;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline
CID 161100126
3-chloro-5-methyl-2H-indazole;7-chloro-5-methyl-1H-indazole;6,8-dimethylquinoline;2,4-dimethyl-6-(trifluoromethyl)pyridine;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;5-methyl-1H-indazole;6-methylisoquinoline;6-methylquinazolin-2-amine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline;6-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;7-methyl-[1,2,4]triazolo[1,5-a]pyridine;tris(2,4,6-trimethylpyridine)
CID 161222129
6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine
CID 157131091
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride
CID 157155250

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline (CID 158109024) is 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline is CC(=O)Nc1ccc(C(C)C)cn1.CC(C)C1=CCCCCC1.CC(C)c1ccc2cccn2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1cccc2ccncc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1cnn(-c2ccccc2Cl)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn2ccccc12.Cc1cc(C(C)C)ccn1.Cc1ccc(-n2cc(C(C)C)cn2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline?
The InChIKey is FQEORUJHXBJIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2.C12H13ClN2.C12H15N3.4C12H13N.C11H13N.C10H14N2O.C10H12N2.C10H18.C9H13N/c1-9(2)11-7-15-16(8-11)13-5-4-10(3)6-12(13)14;1-9(2)10-7-14-15(8-10)12-6-4-3-5-11(12)13;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)10-5-6-11-4-3-7-12(11)8-10;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-9(2)10-7-5-3-4-6-8-10;1-7(2)9-4-5-10-8(3)6-9/h4-9H,1-3H3;3-9H,1-2H3;3-8,10H,9H2,1-2H3;4*3-9H,1-2H3;3-9H,1-2H3;4-7H,1-3H3,(H,11,12,13);3-8H,1-2H3;7,9H,3-6,8H2,1-2H3;4-7H,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline?
1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline has a molecular weight of 2112.83 g/mol, XLogP of 37.22, 17 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline is sourced from PubChem (CID 158109024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).