1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole

C226H391F2N52O4+ — CID 158580172

IUPAC1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(C)Cn1cc(C(C)C)cn1.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nc1C1CC1.CC(C)c1cn(C)nc1C1CC1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(F)F)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CN(C(C)C)C2)c1.CC(C)c1cnn(C2CNC2)c1.CC(CO)Cn1cc(C(C)C)cn1.CC(O)Cn1cc(C(C)C)cn1.CC[n+]1cc(C(C)C)c(C)[nH]1.CCc1nn(C)cc1C(C)C.CCc1nn(CC)c(C)c1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)on1.Cc1ncc(C(C)C)o1.Cc1nn(C(C)(C)C)c(C)c1C(C)C.Cc1nn(C(C)C)c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C12H21N3.C12H22N2.2C11H20N2.C10H18N2O.2C10H16N2.C10H18N2.C9H15N3.C9H16N2O.4C9H16N2.3C8H14N2.C7H10F2N2.5C7H12N2.2C7H11NO.C6H10N2/c1-9(2)11-5-13-15(6-11)12-7-14(8-12)10(3)4;1-8(2)11-9(3)13-14(10(11)4)12(5,6)7;1-7(2)11-9(5)12-13(8(3)4)10(11)6;1-6-10-11(8(3)4)9(5)13(7-2)12-10;1-8(2)10-4-11-12(6-10)5-9(3)7-13;2*1-7(2)9-6-12(3)11-10(9)8-4-5-8;1-8(2)6-12-7-10(5-11-12)9(3)4;1-7(2)8-3-11-12(6-8)9-4-10-5-9;1-7(2)9-4-10-11(6-9)5-8(3)12;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)9-7(3)10-11(5)8(9)4;1-5-9-8(7(2)3)6-11(4)10-9;1-5-11-6-9(7(2)3)8(4)10-11;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)8-5-7(3)10(4)9-8;1-5(2)6-3-10-11(4-6)7(8)9;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;2*1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-7-8-4-6/h5-6,9-10,12H,7-8H2,1-4H3;8H,1-7H3;7-8H,1-6H3;8H,6-7H2,1-5H3;4,6,8-9,13H,5,7H2,1-3H3;2*6-8H,4-5H2,1-3H3;5,7-9H,6H2,1-4H3;3,6-7,9-10H,4-5H2,1-2H3;4,6-8,12H,5H2,1-3H3;5-8H,1-4H3;6H,1-5H3;2*6-7H,5H2,1-4H3;3*5-6H,1-4H3;3-5,7H,1-2H3;3*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3,(H,7,8)/p+1
InChIKeyJFXVYZWFGNVJRW-UHFFFAOYSA-O
MW3938.97 g/mol
LogP54.05
Rot. Bonds45

About 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole

1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole (PubChem CID 158580172) has the molecular formula C226H391F2N52O4+ and a molecular weight of 3938.97 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole
PubChem CID158580172
Molecular FormulaC226H391F2N52O4+
Molecular Weight3938.97 g/mol
Exact Mass3936.20
IUPAC Name1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(C)Cn1cc(C(C)C)cn1.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nc1C1CC1.CC(C)c1cn(C)nc1C1CC1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(F)F)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CN(C(C)C)C2)c1.CC(C)c1cnn(C2CNC2)c1.CC(CO)Cn1cc(C(C)C)cn1.CC(O)Cn1cc(C(C)C)cn1.CC[n+]1cc(C(C)C)c(C)[nH]1.CCc1nn(C)cc1C(C)C.CCc1nn(CC)c(C)c1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)on1.Cc1ncc(C(C)C)o1.Cc1nn(C(C)(C)C)c(C)c1C(C)C.Cc1nn(C(C)C)c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C12H21N3.C12H22N2.2C11H20N2.C10H18N2O.2C10H16N2.C10H18N2.C9H15N3.C9H16N2O.4C9H16N2.3C8H14N2.C7H10F2N2.5C7H12N2.2C7H11NO.C6H10N2/c1-9(2)11-5-13-15(6-11)12-7-14(8-12)10(3)4;1-8(2)11-9(3)13-14(10(11)4)12(5,6)7;1-7(2)11-9(5)12-13(8(3)4)10(11)6;1-6-10-11(8(3)4)9(5)13(7-2)12-10;1-8(2)10-4-11-12(6-10)5-9(3)7-13;2*1-7(2)9-6-12(3)11-10(9)8-4-5-8;1-8(2)6-12-7-10(5-11-12)9(3)4;1-7(2)8-3-11-12(6-8)9-4-10-5-9;1-7(2)9-4-10-11(6-9)5-8(3)12;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)9-7(3)10-11(5)8(9)4;1-5-9-8(7(2)3)6-11(4)10-9;1-5-11-6-9(7(2)3)8(4)10-11;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)8-5-7(3)10(4)9-8;1-5(2)6-3-10-11(4-6)7(8)9;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;2*1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-7-8-4-6/h5-6,9-10,12H,7-8H2,1-4H3;8H,1-7H3;7-8H,1-6H3;8H,6-7H2,1-5H3;4,6,8-9,13H,5,7H2,1-3H3;2*6-8H,4-5H2,1-3H3;5,7-9H,6H2,1-4H3;3,6-7,9-10H,4-5H2,1-2H3;4,6-8,12H,5H2,1-3H3;5-8H,1-4H3;6H,1-5H3;2*6-7H,5H2,1-4H3;3*5-6H,1-4H3;3-5,7H,1-2H3;3*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3,(H,7,8)/p+1
InChIKeyJFXVYZWFGNVJRW-UHFFFAOYSA-O
XLogP54.05
TPSA569.90 Ų
H-Bond Donors7
H-Bond Acceptors51
Rotatable Bonds45
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003938.97
LogP ≤ 554.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1051

Analyze 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The IUPAC name of 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole (CID 158580172) is 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The canonical SMILES for 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole is CC(C)Cn1cc(C(C)C)cn1.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nc1C1CC1.CC(C)c1cn(C)nc1C1CC1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(F)F)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CN(C(C)C)C2)c1.CC(C)c1cnn(C2CNC2)c1.CC(CO)Cn1cc(C(C)C)cn1.CC(O)Cn1cc(C(C)C)cn1.CC[n+]1cc(C(C)C)c(C)[nH]1.CCc1nn(C)cc1C(C)C.CCc1nn(CC)c(C)c1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)on1.Cc1ncc(C(C)C)o1.Cc1nn(C(C)(C)C)c(C)c1C(C)C.Cc1nn(C(C)C)c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C.
What is the InChIKey of 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The InChIKey is JFXVYZWFGNVJRW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H21N3.C12H22N2.2C11H20N2.C10H18N2O.2C10H16N2.C10H18N2.C9H15N3.C9H16N2O.4C9H16N2.3C8H14N2.C7H10F2N2.5C7H12N2.2C7H11NO.C6H10N2/c1-9(2)11-5-13-15(6-11)12-7-14(8-12)10(3)4;1-8(2)11-9(3)13-14(10(11)4)12(5,6)7;1-7(2)11-9(5)12-13(8(3)4)10(11)6;1-6-10-11(8(3)4)9(5)13(7-2)12-10;1-8(2)10-4-11-12(6-10)5-9(3)7-13;2*1-7(2)9-6-12(3)11-10(9)8-4-5-8;1-8(2)6-12-7-10(5-11-12)9(3)4;1-7(2)8-3-11-12(6-8)9-4-10-5-9;1-7(2)9-4-10-11(6-9)5-8(3)12;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)9-7(3)10-11(5)8(9)4;1-5-9-8(7(2)3)6-11(4)10-9;1-5-11-6-9(7(2)3)8(4)10-11;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)8-5-7(3)10(4)9-8;1-5(2)6-3-10-11(4-6)7(8)9;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;2*1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-7-8-4-6/h5-6,9-10,12H,7-8H2,1-4H3;8H,1-7H3;7-8H,1-6H3;8H,6-7H2,1-5H3;4,6,8-9,13H,5,7H2,1-3H3;2*6-8H,4-5H2,1-3H3;5,7-9H,6H2,1-4H3;3,6-7,9-10H,4-5H2,1-2H3;4,6-8,12H,5H2,1-3H3;5-8H,1-4H3;6H,1-5H3;2*6-7H,5H2,1-4H3;3*5-6H,1-4H3;3-5,7H,1-2H3;3*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3,(H,7,8)/p+1.
What are the key properties of 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole?
1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole has a molecular weight of 3938.97 g/mol, XLogP of 54.05, 45 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;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;3-ethyl-1-methyl-4-propan-2-ylpyrazole;2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-2-ium;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole;4-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 158580172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).