1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide

C214H358F3N53O11S3 — CID 159019603

IUPAC1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide
SMILESCC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cn[nH]c1.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)n1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(CCO)c1.CC(C)c1ncn(C)n1.CC1=NCC(C(C)C)=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.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1nc(C)c(C(C)C)s1.Cc1ncc(C(C)C)s1.Cc1nn(C)cc1C(C)C.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.Cc1noc(C(C)C)n1.Cc1noc(C)c1C(C)C.O=S=O
InChIInChI=1S/C10H15F3N2O.C10H14N2O.C10H16N2.C9H16N2O.C9H14N2.C9H16N2.C8H14N2O.5C8H14N2.C8H13NO.C8H13NS.C8H13N.5C7H12N2.C7H11NO.C7H11NS.2C6H11N3.3C6H10N2O.C6H10N2.O2S/c1-4-16-9(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;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7(2)8-5-10-11(6-8)9-3-4-9;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)8-5-7(3)10(4)9-8;2*1-4-10-6-8(5-9-10)7(2)3;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-4-7(3)9-5-8;1-6(2)7-4-9(3)5-8-7;2*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-7-4-9(3)8-6;1-5(2)6-4-7-9(3)8-6;1-4(2)6-8-7-5(3)9-6;2*1-4(2)6-7-5(3)8-9-6;1-5(2)6-3-7-8-4-6;1-3-2/h5-7,9H,4H2,1-3H3;5-8H,3-4H2,1-2H3;5,7-9H,3-4,6H2,1-2H3;6-8H,4-5H2,1-3H3;5-7,9H,3-4H2,1-2H3;5-8H,1-4H3;5-7,11H,3-4H2,1-2H3;3*5-6H,1-4H3;2*5-7H,4H2,1-3H3;2*5H,1-4H3;4,6H,5H2,1-3H3;5*4-6H,1-3H3;4*4-5H,1-3H3;3*4H,1-3H3;3-5H,1-2H3,(H,7,8);
InChIKeyJTNFISIVTJFPHJ-UHFFFAOYSA-N
MW4002.77 g/mol
LogP51.75
Rot. Bonds43

About 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide

1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide (PubChem CID 159019603) has the molecular formula C214H358F3N53O11S3 and a molecular weight of 4002.77 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide
PubChem CID159019603
Molecular FormulaC214H358F3N53O11S3
Molecular Weight4002.77 g/mol
Exact Mass3999.82
IUPAC Name1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide
SMILESCC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cn[nH]c1.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)n1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(CCO)c1.CC(C)c1ncn(C)n1.CC1=NCC(C(C)C)=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.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1nc(C)c(C(C)C)s1.Cc1ncc(C(C)C)s1.Cc1nn(C)cc1C(C)C.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.Cc1noc(C(C)C)n1.Cc1noc(C)c1C(C)C.O=S=O
InChIInChI=1S/C10H15F3N2O.C10H14N2O.C10H16N2.C9H16N2O.C9H14N2.C9H16N2.C8H14N2O.5C8H14N2.C8H13NO.C8H13NS.C8H13N.5C7H12N2.C7H11NO.C7H11NS.2C6H11N3.3C6H10N2O.C6H10N2.O2S/c1-4-16-9(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;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7(2)8-5-10-11(6-8)9-3-4-9;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)8-5-7(3)10(4)9-8;2*1-4-10-6-8(5-9-10)7(2)3;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-4-7(3)9-5-8;1-6(2)7-4-9(3)5-8-7;2*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-7-4-9(3)8-6;1-5(2)6-4-7-9(3)8-6;1-4(2)6-8-7-5(3)9-6;2*1-4(2)6-7-5(3)8-9-6;1-5(2)6-3-7-8-4-6;1-3-2/h5-7,9H,4H2,1-3H3;5-8H,3-4H2,1-2H3;5,7-9H,3-4,6H2,1-2H3;6-8H,4-5H2,1-3H3;5-7,9H,3-4H2,1-2H3;5-8H,1-4H3;5-7,11H,3-4H2,1-2H3;3*5-6H,1-4H3;2*5-7H,4H2,1-3H3;2*5H,1-4H3;4,6H,5H2,1-3H3;5*4-6H,1-3H3;4*4-5H,1-3H3;3*4H,1-3H3;3-5H,1-2H3,(H,7,8);
InChIKeyJTNFISIVTJFPHJ-UHFFFAOYSA-N
XLogP51.75
TPSA689.90 Ų
H-Bond Donors2
H-Bond Acceptors65
Rotatable Bonds43
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004002.77
LogP ≤ 551.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1065

Analyze 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide?
The IUPAC name of 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide (CID 159019603) is 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide?
The canonical SMILES for 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide is CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cn[nH]c1.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)n1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(CCO)c1.CC(C)c1ncn(C)n1.CC1=NCC(C(C)C)=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.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1nc(C)c(C(C)C)s1.Cc1ncc(C(C)C)s1.Cc1nn(C)cc1C(C)C.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.Cc1noc(C(C)C)n1.Cc1noc(C)c1C(C)C.O=S=O.
What is the InChIKey of 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide?
The InChIKey is JTNFISIVTJFPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O.C10H14N2O.C10H16N2.C9H16N2O.C9H14N2.C9H16N2.C8H14N2O.5C8H14N2.C8H13NO.C8H13NS.C8H13N.5C7H12N2.C7H11NO.C7H11NS.2C6H11N3.3C6H10N2O.C6H10N2.O2S/c1-4-16-9(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;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7(2)8-5-10-11(6-8)9-3-4-9;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)8-5-7(3)10(4)9-8;2*1-4-10-6-8(5-9-10)7(2)3;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-4-7(3)9-5-8;1-6(2)7-4-9(3)5-8-7;2*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-7-4-9(3)8-6;1-5(2)6-4-7-9(3)8-6;1-4(2)6-8-7-5(3)9-6;2*1-4(2)6-7-5(3)8-9-6;1-5(2)6-3-7-8-4-6;1-3-2/h5-7,9H,4H2,1-3H3;5-8H,3-4H2,1-2H3;5,7-9H,3-4,6H2,1-2H3;6-8H,4-5H2,1-3H3;5-7,9H,3-4H2,1-2H3;5-8H,1-4H3;5-7,11H,3-4H2,1-2H3;3*5-6H,1-4H3;2*5-7H,4H2,1-3H3;2*5H,1-4H3;4,6H,5H2,1-3H3;5*4-6H,1-3H3;4*4-5H,1-3H3;3*4H,1-3H3;3-5H,1-2H3,(H,7,8);.
What are the key properties of 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide?
1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide has a molecular weight of 4002.77 g/mol, XLogP of 51.75, 43 rotatable bonds, 2 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;sulfur dioxide is sourced from PubChem (CID 159019603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).