1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate

C167H240N18O11 — CID 159071232

IUPAC1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCC.CC(C)(C)C(=O)N1CCc2ccccc2C1.CC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC2=O.CC(C)(C)c1cnn(-c2ccccc2)c1.CC(C)(C)c1cnn(C2CCNCC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CN1CCOc2cc(C(C)(C)C)ccc21.COC(=O)N1CCC(n2cc(C(C)(C)C)cn2)CC1.Cn1ccc(C(C)(C)C)cc1=O.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C14H23N3O2.C14H18N2.C14H19NO.C13H23N3O.C13H16N2.C13H19NO.C13H17NO.3C13H16O.C12H21N3.2C10H15NO.C2H6/c1-14(2,3)11-9-15-17(10-11)12-5-7-16(8-6-12)13(18)19-4;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-14(2,3)13(16)15-9-8-11-6-4-5-7-12(11)10-15;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-13(2,3)11-9-14-15(10-11)12-7-5-4-6-8-12;1-13(2,3)10-5-6-11-12(9-10)15-8-7-14(11)4;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;1-13(2,3)11-5-4-9-7-12(14)8-10(9)6-11;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;2*1-10(2,3)8-5-6-11(4)9(12)7-8;1-2/h9-10,12H,5-8H2,1-4H3;4-9,11H,10H2,1-3H3;4-7H,8-10H2,1-3H3;10-11H,4-9H2,1-3H3;4-10H,1-3H3;5-6,9H,7-8H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);5-6,8H,4,7H2,1-3H3;4,6,8H,5,7H2,1-3H3;4-6H,7-8H2,1-3H3;8-9,11,13H,4-7H2,1-3H3;2*5-7H,1-4H3;1-2H3
InChIKeyJZRCLPVCKPUOCO-UHFFFAOYSA-N
MW2675.87 g/mol
LogP34.17
Rot. Bonds8

About 1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate

1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 159071232) has the molecular formula C167H240N18O11 and a molecular weight of 2675.87 g/mol. Its IUPAC name is 1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
PubChem CID159071232
Molecular FormulaC167H240N18O11
Molecular Weight2675.87 g/mol
Exact Mass2673.88
IUPAC Name1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCC.CC(C)(C)C(=O)N1CCc2ccccc2C1.CC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC2=O.CC(C)(C)c1cnn(-c2ccccc2)c1.CC(C)(C)c1cnn(C2CCNCC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CN1CCOc2cc(C(C)(C)C)ccc21.COC(=O)N1CCC(n2cc(C(C)(C)C)cn2)CC1.Cn1ccc(C(C)(C)C)cc1=O.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C14H23N3O2.C14H18N2.C14H19NO.C13H23N3O.C13H16N2.C13H19NO.C13H17NO.3C13H16O.C12H21N3.2C10H15NO.C2H6/c1-14(2,3)11-9-15-17(10-11)12-5-7-16(8-6-12)13(18)19-4;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-14(2,3)13(16)15-9-8-11-6-4-5-7-12(11)10-15;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-13(2,3)11-9-14-15(10-11)12-7-5-4-6-8-12;1-13(2,3)10-5-6-11-12(9-10)15-8-7-14(11)4;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;1-13(2,3)11-5-4-9-7-12(14)8-10(9)6-11;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;2*1-10(2,3)8-5-6-11(4)9(12)7-8;1-2/h9-10,12H,5-8H2,1-4H3;4-9,11H,10H2,1-3H3;4-7H,8-10H2,1-3H3;10-11H,4-9H2,1-3H3;4-10H,1-3H3;5-6,9H,7-8H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);5-6,8H,4,7H2,1-3H3;4,6,8H,5,7H2,1-3H3;4-6H,7-8H2,1-3H3;8-9,11,13H,4-7H2,1-3H3;2*5-7H,1-4H3;1-2H3
InChIKeyJZRCLPVCKPUOCO-UHFFFAOYSA-N
XLogP34.17
TPSA300.23 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds8
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002675.87
LogP ≤ 534.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-4-tert-butylpyrazole;tert-butyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-(4-fluorophenyl)pyrazole;4-tert-butyl-1-(2-hydroxy-2-methylpropyl)pyridin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-propyl-3-(trifluoromethyl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 160089859
5-[4-(3-amino-4-methylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methyl-3-nitrophenyl)-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-nitrophenyl)-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(3-phenoxyphenyl)butyl]-3H-isoindol-1-one
CID 157180564
(3S)-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide;(3R)-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide;(3R)-N-[2-(dimethylcarbamoyl)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;6-ethoxy-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3S)-N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 159399756
5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 160592216
1-(4-tert-butylisoquinolin-6-yl)propan-1-one;1-(5-tert-butyl-7-methoxy-1-methylindol-3-yl)propan-1-one;(2R)-8-tert-butyl-2-methyl-4H-chromen-3-one;(7R)-2-tert-butyl-N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide;(7S)-2-tert-butyl-N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide;8-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one;1-[5-tert-butyl-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;1-(5-tert-butyl-1-methyl-7-propan-2-ylindol-3-yl)propan-1-one;1-(5-tert-butyl-1-methyl-7-prop-1-en-2-ylindol-3-yl)propan-1-one;1-[3-tert-butyl-1-(oxan-4-yl)indazol-5-yl]propan-1-one
CID 161928905

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of 1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate (CID 159071232) is 1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for 1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for 1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate is CC.CC(C)(C)C(=O)N1CCc2ccccc2C1.CC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC2=O.CC(C)(C)c1cnn(-c2ccccc2)c1.CC(C)(C)c1cnn(C2CCNCC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CN1CCOc2cc(C(C)(C)C)ccc21.COC(=O)N1CCC(n2cc(C(C)(C)C)cn2)CC1.Cn1ccc(C(C)(C)C)cc1=O.Cn1ccc(C(C)(C)C)cc1=O.
What is the InChIKey of 1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is JZRCLPVCKPUOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.C14H18N2.C14H19NO.C13H23N3O.C13H16N2.C13H19NO.C13H17NO.3C13H16O.C12H21N3.2C10H15NO.C2H6/c1-14(2,3)11-9-15-17(10-11)12-5-7-16(8-6-12)13(18)19-4;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-14(2,3)13(16)15-9-8-11-6-4-5-7-12(11)10-15;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-13(2,3)11-9-14-15(10-11)12-7-5-4-6-8-12;1-13(2,3)10-5-6-11-12(9-10)15-8-7-14(11)4;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;1-13(2,3)11-5-4-9-7-12(14)8-10(9)6-11;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;2*1-10(2,3)8-5-6-11(4)9(12)7-8;1-2/h9-10,12H,5-8H2,1-4H3;4-9,11H,10H2,1-3H3;4-7H,8-10H2,1-3H3;10-11H,4-9H2,1-3H3;4-10H,1-3H3;5-6,9H,7-8H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);5-6,8H,4,7H2,1-3H3;4,6,8H,5,7H2,1-3H3;4-6H,7-8H2,1-3H3;8-9,11,13H,4-7H2,1-3H3;2*5-7H,1-4H3;1-2H3.
What are the key properties of 1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate?
1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 2675.87 g/mol, XLogP of 34.17, 8 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 159071232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).