1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole

C174H261FN26O5S3 — CID 160947597

IUPAC1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole
SMILESCC(=O)C(C)(C)n1cc(C(C)C)cn1.CC(C)C1=C(C(C)(C)C)C=NC1.CC(C)C1=CCN=C1.CC(C)c1ccnn1Cc1ccccc1.CC(C)c1cnc(-c2ccc(F)cc2)o1.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCC2)c1.CC(C)c1cnn(C2CCCCO2)c1.CC(C)c1cnn(Cc2cccs2)c1.CC(C)c1csc(-c2ccccc2)n1.CC1=NCC(C(C)C)=C1.CCC(C)(C)n1cc(C(C)C)cn1.COCC(C)(C)n1cc(C(C)C)cn1.Cc1cc(C(C)C)n(C)n1.Cc1ccc(C(C)C)o1.Cc1nc(-c2ccccc2)sc1C(C)C
InChIInChI=1S/C13H16N2.C13H15NS.C12H12FNO.C12H13NS.C11H18N2O.C11H20N2O.C11H18N2O.C11H14N2S.C11H20N2.C11H19N.C10H16N2.C10H18N2.C8H14N2.C8H13N.C8H12O.C7H12N2.C7H11N/c1-11(2)13-8-9-14-15(13)10-12-6-4-3-5-7-12;1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11;1-8(2)11-7-14-12(15-11)9-3-5-10(13)6-4-9;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-9(2)10-7-12-13(8-10)11-5-3-4-6-14-11;1-9(2)10-6-12-13(7-10)11(3,4)8-14-5;1-8(2)10-6-12-13(7-10)11(4,5)9(3)14;1-9(2)10-6-12-13(7-10)8-11-4-3-5-14-11;1-6-11(4,5)13-8-10(7-12-13)9(2)3;1-8(2)9-6-12-7-10(9)11(3,4)5;1-8(2)9-6-11-12(7-9)10-4-3-5-10;1-8(2)9-6-11-12(7-9)10(3,4)5;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-4-7(3)9-5-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-5-7/h3-9,11H,10H2,1-2H3;4-9H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;7-9,11H,3-6H2,1-2H3;6-7,9H,8H2,1-5H3;6-8H,1-5H3;3-7,9H,8H2,1-2H3;7-9H,6H2,1-5H3;7-8H,6H2,1-5H3;6-8,10H,3-5H2,1-2H3;6-8H,1-5H3;5-6H,1-4H3;4,6H,5H2,1-3H3;2*4-6H,1-3H3;3,5-6H,4H2,1-2H3
InChIKeySVHZKBTYLFUXIE-UHFFFAOYSA-N
MW2912.38 g/mol
LogP46.89
Rot. Bonds33

About 1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole

1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole (PubChem CID 160947597) has the molecular formula C174H261FN26O5S3 and a molecular weight of 2912.38 g/mol. Its IUPAC name is 1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole
PubChem CID160947597
Molecular FormulaC174H261FN26O5S3
Molecular Weight2912.38 g/mol
Exact Mass2910.01
IUPAC Name1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole
SMILESCC(=O)C(C)(C)n1cc(C(C)C)cn1.CC(C)C1=C(C(C)(C)C)C=NC1.CC(C)C1=CCN=C1.CC(C)c1ccnn1Cc1ccccc1.CC(C)c1cnc(-c2ccc(F)cc2)o1.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCC2)c1.CC(C)c1cnn(C2CCCCO2)c1.CC(C)c1cnn(Cc2cccs2)c1.CC(C)c1csc(-c2ccccc2)n1.CC1=NCC(C(C)C)=C1.CCC(C)(C)n1cc(C(C)C)cn1.COCC(C)(C)n1cc(C(C)C)cn1.Cc1cc(C(C)C)n(C)n1.Cc1ccc(C(C)C)o1.Cc1nc(-c2ccccc2)sc1C(C)C
InChIInChI=1S/C13H16N2.C13H15NS.C12H12FNO.C12H13NS.C11H18N2O.C11H20N2O.C11H18N2O.C11H14N2S.C11H20N2.C11H19N.C10H16N2.C10H18N2.C8H14N2.C8H13N.C8H12O.C7H12N2.C7H11N/c1-11(2)13-8-9-14-15(13)10-12-6-4-3-5-7-12;1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11;1-8(2)11-7-14-12(15-11)9-3-5-10(13)6-4-9;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-9(2)10-7-12-13(8-10)11-5-3-4-6-14-11;1-9(2)10-6-12-13(7-10)11(3,4)8-14-5;1-8(2)10-6-12-13(7-10)11(4,5)9(3)14;1-9(2)10-6-12-13(7-10)8-11-4-3-5-14-11;1-6-11(4,5)13-8-10(7-12-13)9(2)3;1-8(2)9-6-12-7-10(9)11(3,4)5;1-8(2)9-6-11-12(7-9)10-4-3-5-10;1-8(2)9-6-11-12(7-9)10(3,4)5;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-4-7(3)9-5-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-5-7/h3-9,11H,10H2,1-2H3;4-9H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;7-9,11H,3-6H2,1-2H3;6-7,9H,8H2,1-5H3;6-8H,1-5H3;3-7,9H,8H2,1-2H3;7-9H,6H2,1-5H3;7-8H,6H2,1-5H3;6-8,10H,3-5H2,1-2H3;6-8H,1-5H3;5-6H,1-4H3;4,6H,5H2,1-3H3;2*4-6H,1-3H3;3,5-6H,4H2,1-2H3
InChIKeySVHZKBTYLFUXIE-UHFFFAOYSA-N
XLogP46.89
TPSA315.76 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002912.38
LogP ≤ 546.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole with MolForge

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Launch Full Analysis

Related Compounds

Methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 157237142
2-[3,5-Bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluorophenyl)-5-methyl-1,3-thiazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;5-methyl-2-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 158811429
Bis[[1-[[4-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methyl] propanedioate
CID 88014687
Bis[[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methyl] propanedioate
CID 88048021
Bis[3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]pentan-3-yl] propanedioate
CID 88149775
4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 139945938
1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;1-cyclobutyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;ethane;fluoromethane;methane;bis(1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole);1-(3-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole;toluene
CID 157228656
bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene)
CID 157438329
2-(3-Dibenzofuran-3-ylbenzene-6-id-1-yl)-1,3-oxazole;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-1,3-thiazole;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
CID 157496553
4-Tert-butyl-2-propan-2-ylfuran;4-tert-butyl-2-propan-2-ylthiophene;2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole
CID 157845858
bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole
CID 158356278
2-(3-Dibenzofuran-3-ylbenzene-6-id-1-yl)-1,3-oxazole;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-1,3-thiazole;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));bis(1-phenyl-4-(4-phenylphenyl)pyrazole)
CID 158614271

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole?
The IUPAC name of 1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole (CID 160947597) is 1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole.
What is the SMILES notation for 1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole?
The canonical SMILES for 1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole is CC(=O)C(C)(C)n1cc(C(C)C)cn1.CC(C)C1=C(C(C)(C)C)C=NC1.CC(C)C1=CCN=C1.CC(C)c1ccnn1Cc1ccccc1.CC(C)c1cnc(-c2ccc(F)cc2)o1.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCC2)c1.CC(C)c1cnn(C2CCCCO2)c1.CC(C)c1cnn(Cc2cccs2)c1.CC(C)c1csc(-c2ccccc2)n1.CC1=NCC(C(C)C)=C1.CCC(C)(C)n1cc(C(C)C)cn1.COCC(C)(C)n1cc(C(C)C)cn1.Cc1cc(C(C)C)n(C)n1.Cc1ccc(C(C)C)o1.Cc1nc(-c2ccccc2)sc1C(C)C.
What is the InChIKey of 1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole?
The InChIKey is SVHZKBTYLFUXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C13H15NS.C12H12FNO.C12H13NS.C11H18N2O.C11H20N2O.C11H18N2O.C11H14N2S.C11H20N2.C11H19N.C10H16N2.C10H18N2.C8H14N2.C8H13N.C8H12O.C7H12N2.C7H11N/c1-11(2)13-8-9-14-15(13)10-12-6-4-3-5-7-12;1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11;1-8(2)11-7-14-12(15-11)9-3-5-10(13)6-4-9;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-9(2)10-7-12-13(8-10)11-5-3-4-6-14-11;1-9(2)10-6-12-13(7-10)11(3,4)8-14-5;1-8(2)10-6-12-13(7-10)11(4,5)9(3)14;1-9(2)10-6-12-13(7-10)8-11-4-3-5-14-11;1-6-11(4,5)13-8-10(7-12-13)9(2)3;1-8(2)9-6-12-7-10(9)11(3,4)5;1-8(2)9-6-11-12(7-9)10-4-3-5-10;1-8(2)9-6-11-12(7-9)10(3,4)5;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-4-7(3)9-5-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-5-7/h3-9,11H,10H2,1-2H3;4-9H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;7-9,11H,3-6H2,1-2H3;6-7,9H,8H2,1-5H3;6-8H,1-5H3;3-7,9H,8H2,1-2H3;7-9H,6H2,1-5H3;7-8H,6H2,1-5H3;6-8,10H,3-5H2,1-2H3;6-8H,1-5H3;5-6H,1-4H3;4,6H,5H2,1-3H3;2*4-6H,1-3H3;3,5-6H,4H2,1-2H3.
What are the key properties of 1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole?
1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole has a molecular weight of 2912.38 g/mol, XLogP of 46.89, 33 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-propan-2-ylpyrazole;1-tert-butyl-4-propan-2-ylpyrazole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3-oxazole;1-(1-methoxy-2-methylpropan-2-yl)-4-propan-2-ylpyrazole;1-(2-methylbutan-2-yl)-4-propan-2-ylpyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;3-methyl-3-(4-propan-2-ylpyrazol-1-yl)butan-2-one;5-methyl-3-propan-2-yl-2H-pyrrole;1-(oxan-2-yl)-4-propan-2-ylpyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole is sourced from PubChem (CID 160947597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).