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

C227H312Cl4F2N28O4 — CID 161100126

IUPAC1-(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
SMILESCC(=O)Nc1ccc(C(C)C)cn1.CC(C)C(=O)Nc1ccccc1.CC(C)C(=O)Nc1ccccc1.CC(C)C1=CC(C(C)(F)F)NCC1.CC(C)C1=CCCCCC1.CC(C)C1CCNC(c2ccccc2)C1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cncn2c1.CC(C)c1cccc2ccncc12.CC(C)c1ccnc(Cl)c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1cnn(-c2ccc(Cl)cc2Cl)c1.CC(C)c1cnn(-c2ccccc2Cl)c1.CC(C)c1cnn(C2CCC2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn2ccccc12.CC(C)c1nnc(C2CCNCC2)o1.CC1C=C(C(C)C)CC(C)C1.CC1CC=C(C(C)C)CC1.CCC1C=C(C(C)C)CCN1
InChIInChI=1S/C14H21N.C12H12Cl2N2.C12H13ClN2.C12H15N3.4C12H13N.C11H20.C10H17F2N.C10H17N3O.C10H14N2O.C10H12N2.C10H16N2.C10H12N2.2C10H13NO.C10H19N.2C10H18.C8H10ClN/c1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;1-8(2)9-6-15-16(7-9)12-4-3-10(13)5-11(12)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;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)8-4-5-13-9(6-8)10(3,11)12;1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-8(2)9-6-11-12(7-9)10-4-3-5-10;1-8(2)9-7-11-12-6-4-3-5-10(9)12;2*1-8(2)10(12)11-9-6-4-3-5-7-9;1-4-10-7-9(8(2)3)5-6-11-10;1-8(2)10-6-4-9(3)5-7-10;1-9(2)10-7-5-3-4-6-8-10;1-6(2)7-3-4-10-8(9)5-7/h3-7,11,13-15H,8-10H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-8,10H,9H2,1-2H3;4*3-9H,1-2H3;6,8-10H,5,7H2,1-4H3;6-7,9,13H,4-5H2,1-3H3;7-8,11H,3-6H2,1-2H3;4-7H,1-3H3,(H,11,12,13);3-8H,1-2H3;6-8,10H,3-5H2,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3,(H,11,12);7-8,10-11H,4-6H2,1-3H3;6,8-9H,4-5,7H2,1-3H3;7,9H,3-6,8H2,1-2H3;3-6H,1-2H3
InChIKeyUIHRJLHIWXBHAH-UHFFFAOYSA-N
MW3676.99 g/mol
LogP61.59
Rot. Bonds33

About 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

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 (PubChem CID 161100126) has the molecular formula C227H312Cl4F2N28O4 and a molecular weight of 3676.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID161100126
Molecular FormulaC227H312Cl4F2N28O4
Molecular Weight3676.99 g/mol
Exact Mass3672.38
IUPAC Name1-(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
SMILESCC(=O)Nc1ccc(C(C)C)cn1.CC(C)C(=O)Nc1ccccc1.CC(C)C(=O)Nc1ccccc1.CC(C)C1=CC(C(C)(F)F)NCC1.CC(C)C1=CCCCCC1.CC(C)C1CCNC(c2ccccc2)C1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cncn2c1.CC(C)c1cccc2ccncc12.CC(C)c1ccnc(Cl)c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1cnn(-c2ccc(Cl)cc2Cl)c1.CC(C)c1cnn(-c2ccccc2Cl)c1.CC(C)c1cnn(C2CCC2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn2ccccc12.CC(C)c1nnc(C2CCNCC2)o1.CC1C=C(C(C)C)CC(C)C1.CC1CC=C(C(C)C)CC1.CCC1C=C(C(C)C)CCN1
InChIInChI=1S/C14H21N.C12H12Cl2N2.C12H13ClN2.C12H15N3.4C12H13N.C11H20.C10H17F2N.C10H17N3O.C10H14N2O.C10H12N2.C10H16N2.C10H12N2.2C10H13NO.C10H19N.2C10H18.C8H10ClN/c1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;1-8(2)9-6-15-16(7-9)12-4-3-10(13)5-11(12)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;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)8-4-5-13-9(6-8)10(3,11)12;1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-8(2)9-6-11-12(7-9)10-4-3-5-10;1-8(2)9-7-11-12-6-4-3-5-10(9)12;2*1-8(2)10(12)11-9-6-4-3-5-7-9;1-4-10-7-9(8(2)3)5-6-11-10;1-8(2)10-6-4-9(3)5-7-10;1-9(2)10-7-5-3-4-6-8-10;1-6(2)7-3-4-10-8(9)5-7/h3-7,11,13-15H,8-10H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-8,10H,9H2,1-2H3;4*3-9H,1-2H3;6,8-10H,5,7H2,1-4H3;6-7,9,13H,4-5H2,1-3H3;7-8,11H,3-6H2,1-2H3;4-7H,1-3H3,(H,11,12,13);3-8H,1-2H3;6-8,10H,3-5H2,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3,(H,11,12);7-8,10-11H,4-6H2,1-3H3;6,8-9H,4-5,7H2,1-3H3;7,9H,3-6,8H2,1-2H3;3-6H,1-2H3
InChIKeyUIHRJLHIWXBHAH-UHFFFAOYSA-N
XLogP61.59
TPSA370.45 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds33
Heavy Atoms265
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003676.99
LogP ≤ 561.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1ccc(C(C)C)cn1.CC(C)C(=O)Nc1ccccc1.CC(C)C(=O)Nc1ccccc1.CC(C)C1=CC(C(C)(F)F)NCC1.CC(C)C1=CCCCCC1.CC(C)C1CCNC(c2ccccc2)C1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cncn2c1.CC(C)c1cccc2ccncc12.CC(C)c1ccnc(Cl)c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1cnn(-c2ccc(Cl)cc2Cl)c1.CC(C)c1cnn(-c2ccccc2Cl)c1.CC(C)c1cnn(C2CCC2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn2ccccc12.CC(C)c1nnc(C2CCNCC2)o1.CC1C=C(C(C)C)CC(C)C1.CC1CC=C(C(C)C)CC1.CCC1C=C(C(C)C)CCN1.
What is the InChIKey of 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?
The InChIKey is UIHRJLHIWXBHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C12H12Cl2N2.C12H13ClN2.C12H15N3.4C12H13N.C11H20.C10H17F2N.C10H17N3O.C10H14N2O.C10H12N2.C10H16N2.C10H12N2.2C10H13NO.C10H19N.2C10H18.C8H10ClN/c1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;1-8(2)9-6-15-16(7-9)12-4-3-10(13)5-11(12)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;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)8-4-5-13-9(6-8)10(3,11)12;1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-8(2)9-6-11-12(7-9)10-4-3-5-10;1-8(2)9-7-11-12-6-4-3-5-10(9)12;2*1-8(2)10(12)11-9-6-4-3-5-7-9;1-4-10-7-9(8(2)3)5-6-11-10;1-8(2)10-6-4-9(3)5-7-10;1-9(2)10-7-5-3-4-6-8-10;1-6(2)7-3-4-10-8(9)5-7/h3-7,11,13-15H,8-10H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-8,10H,9H2,1-2H3;4*3-9H,1-2H3;6,8-10H,5,7H2,1-4H3;6-7,9,13H,4-5H2,1-3H3;7-8,11H,3-6H2,1-2H3;4-7H,1-3H3,(H,11,12,13);3-8H,1-2H3;6-8,10H,3-5H2,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3,(H,11,12);7-8,10-11H,4-6H2,1-3H3;6,8-9H,4-5,7H2,1-3H3;7,9H,3-6,8H2,1-2H3;3-6H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3676.99 g/mol, XLogP of 61.59, 33 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161100126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).