3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide

C226H352F3N47O6S2 — CID 157332195

IUPAC3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide
SMILESCC(C)c1cccc2nccn12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cnn(C(=O)C2CC2)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(CCO)c1.CCOC(n1cc(C(C)C)cn1)C(F)(F)F.CCn1cc(C(C)C)cn1.CCn1cc(C(C)C)cn1.COCCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1c(C(C)C)cnn1C1CC1.Cc1cc(C(C)(C)C)nn1C.Cc1ccc(Cn2cc(C(C)C)cn2)cc1.Cc1ccc(Cn2nc(C)cc2C(C)C)cc1.Cc1cnc(C(C)C)cn1.Cc1nn(C)cc1C(C)C.O=S=O
InChIInChI=1S/C15H20N2.C14H18N2.C10H15F3N2O.C10H14N2O.2C10H16N2.C10H12N2.C9H16N2O.2C9H16N2.C8H14N2O.2C8H14N2.C8H12N2.2C8H14N2.3C8H11N.4C7H12N2.C7H10N2.C7H10S.C6H10N2.O2S/c1-11(2)15-9-13(4)16-17(15)10-14-7-5-12(3)6-8-14;1-11(2)14-8-15-16(10-14)9-13-6-4-12(3)5-7-13;1-4-16-9(10(11,12)13)15-6-8(5-14-15)7(2)3;1-7(2)9-5-11-12(6-9)10(13)8-3-4-8;1-7(2)10-6-11-12(8(10)3)9-4-5-9;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7-6-8(9(2,3)4)10-11(7)5;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)8-5-9-10(6-8)3-4-11;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-5-9-7(3)4-10-8;2*1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;3*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-3-2/h5-9,11H,10H2,1-4H3;4-8,10-11H,9H2,1-3H3;5-7,9H,4H2,1-3H3;5-8H,3-4H2,1-2H3;6-7,9H,4-5H2,1-3H3;5,7-9H,3-4,6H2,1-2H3;3-8H,1-2H3;6-8H,4-5H2,1-3H3;6H,1-5H3;5-8H,1-4H3;5-7,11H,3-4H2,1-2H3;2*5-6H,1-4H3;4-6H,1-3H3;2*5-7H,4H2,1-3H3;3*3-7H,1-2H3;4*4-6H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);
InChIKeyBFKMNAFHRXPIKP-UHFFFAOYSA-N
MW3944.75 g/mol
LogP54.77
Rot. Bonds44

About 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide

3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide (PubChem CID 157332195) has the molecular formula C226H352F3N47O6S2 and a molecular weight of 3944.75 g/mol. Its IUPAC name is 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide.

Molecular Properties

Compound Name3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide
PubChem CID157332195
Molecular FormulaC226H352F3N47O6S2
Molecular Weight3944.75 g/mol
Exact Mass3941.81
IUPAC Name3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide
SMILESCC(C)c1cccc2nccn12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cnn(C(=O)C2CC2)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(CCO)c1.CCOC(n1cc(C(C)C)cn1)C(F)(F)F.CCn1cc(C(C)C)cn1.CCn1cc(C(C)C)cn1.COCCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1c(C(C)C)cnn1C1CC1.Cc1cc(C(C)(C)C)nn1C.Cc1ccc(Cn2cc(C(C)C)cn2)cc1.Cc1ccc(Cn2nc(C)cc2C(C)C)cc1.Cc1cnc(C(C)C)cn1.Cc1nn(C)cc1C(C)C.O=S=O
InChIInChI=1S/C15H20N2.C14H18N2.C10H15F3N2O.C10H14N2O.2C10H16N2.C10H12N2.C9H16N2O.2C9H16N2.C8H14N2O.2C8H14N2.C8H12N2.2C8H14N2.3C8H11N.4C7H12N2.C7H10N2.C7H10S.C6H10N2.O2S/c1-11(2)15-9-13(4)16-17(15)10-14-7-5-12(3)6-8-14;1-11(2)14-8-15-16(10-14)9-13-6-4-12(3)5-7-13;1-4-16-9(10(11,12)13)15-6-8(5-14-15)7(2)3;1-7(2)9-5-11-12(6-9)10(13)8-3-4-8;1-7(2)10-6-11-12(8(10)3)9-4-5-9;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7-6-8(9(2,3)4)10-11(7)5;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)8-5-9-10(6-8)3-4-11;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-5-9-7(3)4-10-8;2*1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;3*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-3-2/h5-9,11H,10H2,1-4H3;4-8,10-11H,9H2,1-3H3;5-7,9H,4H2,1-3H3;5-8H,3-4H2,1-2H3;6-7,9H,4-5H2,1-3H3;5,7-9H,3-4,6H2,1-2H3;3-8H,1-2H3;6-8H,4-5H2,1-3H3;6H,1-5H3;5-8H,1-4H3;5-7,11H,3-4H2,1-2H3;2*5-6H,1-4H3;4-6H,1-3H3;2*5-7H,4H2,1-3H3;3*3-7H,1-2H3;4*4-6H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);
InChIKeyBFKMNAFHRXPIKP-UHFFFAOYSA-N
XLogP54.77
TPSA546.87 Ų
H-Bond Donors2
H-Bond Acceptors53
Rotatable Bonds44
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003944.75
LogP ≤ 554.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1053

Analyze 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide with MolForge

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Related Compounds

1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide
CID 158814621
3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide
CID 158833475
1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 159127075
CID 159604120
CID 159604120
[1-(difluoromethyl)cyclopropyl]-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-(1-methylcyclopropyl)methanone;[(1S,2S)-2-fluorocyclopropyl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-(3-methylsulfonylcyclobutyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;oxan-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 159946676
1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methylsulfonyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide
CID 160961764
N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide
CID 161628390
1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 162207501

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide?
The IUPAC name of 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide (CID 157332195) is 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide.
What is the SMILES notation for 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide?
The canonical SMILES for 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide is CC(C)c1cccc2nccn12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cnn(C(=O)C2CC2)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(CCO)c1.CCOC(n1cc(C(C)C)cn1)C(F)(F)F.CCn1cc(C(C)C)cn1.CCn1cc(C(C)C)cn1.COCCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1c(C(C)C)cnn1C1CC1.Cc1cc(C(C)(C)C)nn1C.Cc1ccc(Cn2cc(C(C)C)cn2)cc1.Cc1ccc(Cn2nc(C)cc2C(C)C)cc1.Cc1cnc(C(C)C)cn1.Cc1nn(C)cc1C(C)C.O=S=O.
What is the InChIKey of 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide?
The InChIKey is BFKMNAFHRXPIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C14H18N2.C10H15F3N2O.C10H14N2O.2C10H16N2.C10H12N2.C9H16N2O.2C9H16N2.C8H14N2O.2C8H14N2.C8H12N2.2C8H14N2.3C8H11N.4C7H12N2.C7H10N2.C7H10S.C6H10N2.O2S/c1-11(2)15-9-13(4)16-17(15)10-14-7-5-12(3)6-8-14;1-11(2)14-8-15-16(10-14)9-13-6-4-12(3)5-7-13;1-4-16-9(10(11,12)13)15-6-8(5-14-15)7(2)3;1-7(2)9-5-11-12(6-9)10(13)8-3-4-8;1-7(2)10-6-11-12(8(10)3)9-4-5-9;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7-6-8(9(2,3)4)10-11(7)5;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)8-5-9-10(6-8)3-4-11;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-5-9-7(3)4-10-8;2*1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;3*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-3-2/h5-9,11H,10H2,1-4H3;4-8,10-11H,9H2,1-3H3;5-7,9H,4H2,1-3H3;5-8H,3-4H2,1-2H3;6-7,9H,4-5H2,1-3H3;5,7-9H,3-4,6H2,1-2H3;3-8H,1-2H3;6-8H,4-5H2,1-3H3;6H,1-5H3;5-8H,1-4H3;5-7,11H,3-4H2,1-2H3;2*5-6H,1-4H3;4-6H,1-3H3;2*5-7H,4H2,1-3H3;3*3-7H,1-2H3;4*4-6H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);.
What are the key properties of 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide?
3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide has a molecular weight of 3944.75 g/mol, XLogP of 54.77, 44 rotatable bonds, 2 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide is sourced from PubChem (CID 157332195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).