4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine

C281H468F5N57O13S3 — CID 162256587

IUPAC4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cnn(-c2ccncc2)c1.CC(C)(C)c1cnn(C(F)F)c1.CC(C)(C)c1cnn(C2CC2)c1.CC(C)(C)c1cnn(C2CCC(F)(F)CC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(C)c1cnn(C2CCS(=O)(=O)CC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)(C)c1cnoc1.CC(C)(O)Cn1cc(C(C)(C)C)cn1.CCn1cc(C(C)(C)C)cn1.CN1CC(F)C(n2cc(C(C)(C)C)cn2)C1.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.COCCn1cc(C(C)(C)C)cn1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnn(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)co1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)nn1.Cn1ccc(C(C)(C)C)n1.Cn1cnc(C(C)(C)C)c1.Cn1ncc(C(C)(C)C)n1
InChIInChI=1S/C13H20F2N2.C13H23N3O.C13H23N3.C12H20FN3.C12H15N3.C12H20N2O2S.2C12H20N2O.C11H20N2O.C10H18N2O.C10H16N2.C9H16N2.C9H13N.C8H12F2N2.6C8H14N2.5C8H13NO.2C8H13NS.2C7H13N3.C7H11NO/c1-12(2,3)10-8-16-17(9-10)11-4-6-13(14,15)7-5-11;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-12(2,3)9-5-14-16(6-9)11-8-15(4)7-10(11)13;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;1-12(2,3)10-8-13-14(9-10)11-4-6-17(15,16)7-5-11;2*1-12(2,3)10-8-13-14(9-10)11-4-6-15-7-5-11;1-10(2,3)9-6-12-13(7-9)8-11(4,5)14;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-10(2,3)8-6-11-12(7-8)9-4-5-9;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-11-12(5-6)7(9)10;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-10(4)6-7;1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)7-5-6-10(4)9-7;1-6-9-5-7(10-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-10-7(9-6)8(2,3)4;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-7(2,3)6-5-10(4)9-8-6;1-7(2,3)6-5-8-10(4)9-6;1-7(2,3)6-4-8-9-5-6/h8-9,11H,4-7H2,1-3H3;10-11H,4-9H2,1-3H3;9-10,12H,5-8H2,1-4H3;5-6,10-11H,7-8H2,1-4H3;4-9H,1-3H3;8-9,11H,4-7H2,1-3H3;2*8-9,11H,4-7H2,1-3H3;6-7,14H,8H2,1-5H3;7-8H,5-6H2,1-4H3;6-7,9H,4-5H2,1-3H3;6-7H,5H2,1-4H3;4-7H,1-3H3;4-5,7H,1-3H3;4*5-6H,1-4H3;2*5H,1-4H3,(H,9,10);9*5H,1-4H3;4-5H,1-3H3
InChIKeyZYRDBINCZIAXPM-UHFFFAOYSA-N
MW5044.41 g/mol
LogP65.13
Rot. Bonds18

About 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine

4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine (PubChem CID 162256587) has the molecular formula C281H468F5N57O13S3 and a molecular weight of 5044.41 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine.

Molecular Properties

Compound Name4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine
PubChem CID162256587
Molecular FormulaC281H468F5N57O13S3
Molecular Weight5044.41 g/mol
Exact Mass5040.68
IUPAC Name4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cnn(-c2ccncc2)c1.CC(C)(C)c1cnn(C(F)F)c1.CC(C)(C)c1cnn(C2CC2)c1.CC(C)(C)c1cnn(C2CCC(F)(F)CC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(C)c1cnn(C2CCS(=O)(=O)CC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)(C)c1cnoc1.CC(C)(O)Cn1cc(C(C)(C)C)cn1.CCn1cc(C(C)(C)C)cn1.CN1CC(F)C(n2cc(C(C)(C)C)cn2)C1.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.COCCn1cc(C(C)(C)C)cn1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnn(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)co1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)nn1.Cn1ccc(C(C)(C)C)n1.Cn1cnc(C(C)(C)C)c1.Cn1ncc(C(C)(C)C)n1
InChIInChI=1S/C13H20F2N2.C13H23N3O.C13H23N3.C12H20FN3.C12H15N3.C12H20N2O2S.2C12H20N2O.C11H20N2O.C10H18N2O.C10H16N2.C9H16N2.C9H13N.C8H12F2N2.6C8H14N2.5C8H13NO.2C8H13NS.2C7H13N3.C7H11NO/c1-12(2,3)10-8-16-17(9-10)11-4-6-13(14,15)7-5-11;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-12(2,3)9-5-14-16(6-9)11-8-15(4)7-10(11)13;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;1-12(2,3)10-8-13-14(9-10)11-4-6-17(15,16)7-5-11;2*1-12(2,3)10-8-13-14(9-10)11-4-6-15-7-5-11;1-10(2,3)9-6-12-13(7-9)8-11(4,5)14;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-10(2,3)8-6-11-12(7-8)9-4-5-9;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-11-12(5-6)7(9)10;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-10(4)6-7;1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)7-5-6-10(4)9-7;1-6-9-5-7(10-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-10-7(9-6)8(2,3)4;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-7(2,3)6-5-10(4)9-8-6;1-7(2,3)6-5-8-10(4)9-6;1-7(2,3)6-4-8-9-5-6/h8-9,11H,4-7H2,1-3H3;10-11H,4-9H2,1-3H3;9-10,12H,5-8H2,1-4H3;5-6,10-11H,7-8H2,1-4H3;4-9H,1-3H3;8-9,11H,4-7H2,1-3H3;2*8-9,11H,4-7H2,1-3H3;6-7,14H,8H2,1-5H3;7-8H,5-6H2,1-4H3;6-7,9H,4-5H2,1-3H3;6-7H,5H2,1-4H3;4-7H,1-3H3;4-5,7H,1-3H3;4*5-6H,1-4H3;2*5H,1-4H3,(H,9,10);9*5H,1-4H3;4-5H,1-3H3
InChIKeyZYRDBINCZIAXPM-UHFFFAOYSA-N
XLogP65.13
TPSA730.47 Ų
H-Bond Donors3
H-Bond Acceptors70
Rotatable Bonds18
Heavy Atoms359
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005044.41
LogP ≤ 565.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1070

Analyze 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine with MolForge

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What is the IUPAC name of 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine?
The IUPAC name of 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine (CID 162256587) is 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine.
What is the SMILES notation for 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine?
The canonical SMILES for 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine is CC(C)(C)c1ccccn1.CC(C)(C)c1cnn(-c2ccncc2)c1.CC(C)(C)c1cnn(C(F)F)c1.CC(C)(C)c1cnn(C2CC2)c1.CC(C)(C)c1cnn(C2CCC(F)(F)CC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(C)c1cnn(C2CCS(=O)(=O)CC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)(C)c1cnoc1.CC(C)(O)Cn1cc(C(C)(C)C)cn1.CCn1cc(C(C)(C)C)cn1.CN1CC(F)C(n2cc(C(C)(C)C)cn2)C1.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.COCCn1cc(C(C)(C)C)cn1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnn(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)co1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)nn1.Cn1ccc(C(C)(C)C)n1.Cn1cnc(C(C)(C)C)c1.Cn1ncc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine?
The InChIKey is ZYRDBINCZIAXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2.C13H23N3O.C13H23N3.C12H20FN3.C12H15N3.C12H20N2O2S.2C12H20N2O.C11H20N2O.C10H18N2O.C10H16N2.C9H16N2.C9H13N.C8H12F2N2.6C8H14N2.5C8H13NO.2C8H13NS.2C7H13N3.C7H11NO/c1-12(2,3)10-8-16-17(9-10)11-4-6-13(14,15)7-5-11;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-12(2,3)9-5-14-16(6-9)11-8-15(4)7-10(11)13;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;1-12(2,3)10-8-13-14(9-10)11-4-6-17(15,16)7-5-11;2*1-12(2,3)10-8-13-14(9-10)11-4-6-15-7-5-11;1-10(2,3)9-6-12-13(7-9)8-11(4,5)14;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-10(2,3)8-6-11-12(7-8)9-4-5-9;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-11-12(5-6)7(9)10;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-10(4)6-7;1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)7-5-6-10(4)9-7;1-6-9-5-7(10-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-10-7(9-6)8(2,3)4;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-7(2,3)6-5-10(4)9-8-6;1-7(2,3)6-5-8-10(4)9-6;1-7(2,3)6-4-8-9-5-6/h8-9,11H,4-7H2,1-3H3;10-11H,4-9H2,1-3H3;9-10,12H,5-8H2,1-4H3;5-6,10-11H,7-8H2,1-4H3;4-9H,1-3H3;8-9,11H,4-7H2,1-3H3;2*8-9,11H,4-7H2,1-3H3;6-7,14H,8H2,1-5H3;7-8H,5-6H2,1-4H3;6-7,9H,4-5H2,1-3H3;6-7H,5H2,1-4H3;4-7H,1-3H3;4-5,7H,1-3H3;4*5-6H,1-4H3;2*5H,1-4H3,(H,9,10);9*5H,1-4H3;4-5H,1-3H3.
What are the key properties of 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine?
4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine has a molecular weight of 5044.41 g/mol, XLogP of 65.13, 18 rotatable bonds, 3 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2-methyltriazole;bis(4-tert-butyl-1-(oxan-4-yl)pyrazole);4-tert-butyl-1,2-oxazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;4-(4-tert-butylpyrazol-1-yl)thiane 1,1-dioxide;2-tert-butylpyridine is sourced from PubChem (CID 162256587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).