3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline

C121H172F3N35O15S6 — CID 161386026

IUPAC3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESC.C.C.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCOC(=O)c1nnc(NC)s1.CNC(=O)c1cc(NC)cc(C(=O)NC)c1.CNC(=O)c1cc(NC)cc(C(F)(F)F)c1.CNc1cc(C2CC2)nn1C.CNc1ccc2c(c1)-c1sc(NC(C)=O)nc1CC2.CNc1cccc(-c2ccn(C)n2)c1.CNc1cccc(-c2nncn2C)c1.CNc1cccc(-c2nnn(C)n2)c1.CNc1cccc(N(CC(=O)N(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C14H15N3OS.C12H19N3O3S.C11H15N3O2.C11H13N3.C10H11F3N2O.C10H12N4.C9H11N5.3C9H14N2O2S.C8H13N3.C6H9N3O2S.3CH4/c1-8(18)16-14-17-12-6-4-9-3-5-10(15-2)7-11(9)13(12)19-14;1-13-10-6-5-7-11(8-10)15(19(4,17)18)9-12(16)14(2)3;1-12-9-5-7(10(15)13-2)4-8(6-9)11(16)14-3;1-12-10-5-3-4-9(8-10)11-6-7-14(2)13-11;1-14-8-4-6(9(16)15-2)3-7(5-8)10(11,12)13;1-11-9-5-3-4-8(6-9)10-13-12-7-14(10)2;1-10-8-5-3-4-7(6-8)9-11-13-14(2)12-9;3*1-3-11-14(12,13)9-6-4-5-8(7-9)10-2;1-9-8-5-7(6-3-4-6)10-11(8)2;1-3-11-5(10)4-8-9-6(7-2)12-4;;;/h3,5,7,15H,4,6H2,1-2H3,(H,16,17,18);5-8,13H,9H2,1-4H3;4-6,12H,1-3H3,(H,13,15)(H,14,16);3-8,12H,1-2H3;3-5,14H,1-2H3,(H,15,16);3-7,11H,1-2H3;3-6,10H,1-2H3;3*4-7,10-11H,3H2,1-2H3;5-6,9H,3-4H2,1-2H3;3H2,1-2H3,(H,7,9);3*1H4
InChIKeyVSIZTAIJLDISIJ-UHFFFAOYSA-N
MW2606.33 g/mol
LogP17.70
Rot. Bonds35

About 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline

3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 161386026) has the molecular formula C121H172F3N35O15S6 and a molecular weight of 2606.33 g/mol. Its IUPAC name is 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID161386026
Molecular FormulaC121H172F3N35O15S6
Molecular Weight2606.33 g/mol
Exact Mass2604.20
IUPAC Name3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESC.C.C.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCOC(=O)c1nnc(NC)s1.CNC(=O)c1cc(NC)cc(C(=O)NC)c1.CNC(=O)c1cc(NC)cc(C(F)(F)F)c1.CNc1cc(C2CC2)nn1C.CNc1ccc2c(c1)-c1sc(NC(C)=O)nc1CC2.CNc1cccc(-c2ccn(C)n2)c1.CNc1cccc(-c2nncn2C)c1.CNc1cccc(-c2nnn(C)n2)c1.CNc1cccc(N(CC(=O)N(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C14H15N3OS.C12H19N3O3S.C11H15N3O2.C11H13N3.C10H11F3N2O.C10H12N4.C9H11N5.3C9H14N2O2S.C8H13N3.C6H9N3O2S.3CH4/c1-8(18)16-14-17-12-6-4-9-3-5-10(15-2)7-11(9)13(12)19-14;1-13-10-6-5-7-11(8-10)15(19(4,17)18)9-12(16)14(2)3;1-12-9-5-7(10(15)13-2)4-8(6-9)11(16)14-3;1-12-10-5-3-4-9(8-10)11-6-7-14(2)13-11;1-14-8-4-6(9(16)15-2)3-7(5-8)10(11,12)13;1-11-9-5-3-4-8(6-9)10-13-12-7-14(10)2;1-10-8-5-3-4-7(6-8)9-11-13-14(2)12-9;3*1-3-11-14(12,13)9-6-4-5-8(7-9)10-2;1-9-8-5-7(6-3-4-6)10-11(8)2;1-3-11-5(10)4-8-9-6(7-2)12-4;;;/h3,5,7,15H,4,6H2,1-2H3,(H,16,17,18);5-8,13H,9H2,1-4H3;4-6,12H,1-3H3,(H,13,15)(H,14,16);3-8,12H,1-2H3;3-5,14H,1-2H3,(H,15,16);3-7,11H,1-2H3;3-6,10H,1-2H3;3*4-7,10-11H,3H2,1-2H3;5-6,9H,3-4H2,1-2H3;3H2,1-2H3,(H,7,9);3*1H4
InChIKeyVSIZTAIJLDISIJ-UHFFFAOYSA-N
XLogP17.70
TPSA631.88 Ų
H-Bond Donors19
H-Bond Acceptors43
Rotatable Bonds35
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002606.33
LogP ≤ 517.70
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1043

Analyze 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 161386026) is 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline is C.C.C.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCOC(=O)c1nnc(NC)s1.CNC(=O)c1cc(NC)cc(C(=O)NC)c1.CNC(=O)c1cc(NC)cc(C(F)(F)F)c1.CNc1cc(C2CC2)nn1C.CNc1ccc2c(c1)-c1sc(NC(C)=O)nc1CC2.CNc1cccc(-c2ccn(C)n2)c1.CNc1cccc(-c2nncn2C)c1.CNc1cccc(-c2nnn(C)n2)c1.CNc1cccc(N(CC(=O)N(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is VSIZTAIJLDISIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS.C12H19N3O3S.C11H15N3O2.C11H13N3.C10H11F3N2O.C10H12N4.C9H11N5.3C9H14N2O2S.C8H13N3.C6H9N3O2S.3CH4/c1-8(18)16-14-17-12-6-4-9-3-5-10(15-2)7-11(9)13(12)19-14;1-13-10-6-5-7-11(8-10)15(19(4,17)18)9-12(16)14(2)3;1-12-9-5-7(10(15)13-2)4-8(6-9)11(16)14-3;1-12-10-5-3-4-9(8-10)11-6-7-14(2)13-11;1-14-8-4-6(9(16)15-2)3-7(5-8)10(11,12)13;1-11-9-5-3-4-8(6-9)10-13-12-7-14(10)2;1-10-8-5-3-4-7(6-8)9-11-13-14(2)12-9;3*1-3-11-14(12,13)9-6-4-5-8(7-9)10-2;1-9-8-5-7(6-3-4-6)10-11(8)2;1-3-11-5(10)4-8-9-6(7-2)12-4;;;/h3,5,7,15H,4,6H2,1-2H3,(H,16,17,18);5-8,13H,9H2,1-4H3;4-6,12H,1-3H3,(H,13,15)(H,14,16);3-8,12H,1-2H3;3-5,14H,1-2H3,(H,15,16);3-7,11H,1-2H3;3-6,10H,1-2H3;3*4-7,10-11H,3H2,1-2H3;5-6,9H,3-4H2,1-2H3;3H2,1-2H3,(H,7,9);3*1H4.
What are the key properties of 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 2606.33 g/mol, XLogP of 17.70, 35 rotatable bonds, 19 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;tris(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-[8-(methylamino)-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl]acetamide;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 161386026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).