4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole

C204H367F3N66O4 — CID 158400035

IUPAC4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole
SMILESCC(C)(C)n1cc(C2CCCN2)cn1.CC(C)(C)n1cc(CN)cn1.CC(C)(C)n1cc([C@@H]2CCCN2)cn1.CC(C)(C)n1cc([C@H]2CCCN2)cn1.CC(C)(C)n1cnc(C2CCCN2)c1.CC(C)(C)n1cnc([C@@H]2CCCN2)c1.CC(C)(C)n1cnc([C@H]2CCCN2)c1.CC(C)NCc1cnn(C(C)C)c1.CC(C)n1cc(C(=O)O)cn1.CC(C)n1cc(C2CCCN2)nn1.CC(C)n1cc(CN2CCC2)cn1.CC(C)n1cc([C@@H]2CCCN2)nn1.CC(C)n1cc([C@H]2CCCN2)nn1.CCNCc1cnn(C(C)C)c1.CNC(=O)C1CCN(C(C)C)C1.CNCC1CCN(C(C)C)C1.CNCc1cc(C(C)C)no1.CNCc1cn(C(C)C)c(C(F)(F)F)n1.CNCc1cn(C(C)C)c(C)n1.CNCc1cn(C(C)C)cn1.CNCc1cn(C(C)C)nn1.CNCc1cnn(C(C)C)c1
InChIInChI=1S/6C11H19N3.C10H17N3.C10H19N3.C9H14F3N3.3C9H16N4.2C9H17N3.C9H18N2O.C9H20N2.3C8H15N3.C8H14N2O.C7H14N4.C7H10N2O2/c3*1-11(2,3)14-8-9(7-13-14)10-5-4-6-12-10;3*1-11(2,3)14-7-10(13-8-14)9-5-4-6-12-9;1-9(2)13-8-10(6-11-13)7-12-4-3-5-12;1-8(2)11-5-10-6-12-13(7-10)9(3)4;1-6(2)15-5-7(4-13-3)14-8(15)9(10,11)12;3*1-7(2)13-6-9(11-12-13)8-4-3-5-10-8;1-7(2)12-6-9(5-10-4)11-8(12)3;1-4-10-5-9-6-11-12(7-9)8(2)3;1-7(2)11-5-4-8(6-11)9(12)10-3;1-8(2)11-5-4-9(7-11)6-10-3;1-8(2,3)11-6-7(4-9)5-10-11;1-7(2)11-5-8(4-9-3)10-6-11;1-7(2)11-6-8(4-9-3)5-10-11;1-6(2)8-4-7(5-9-3)11-10-8;1-6(2)11-5-7(4-8-3)9-10-11;1-5(2)9-4-6(3-8-9)7(10)11/h3*7-8,10,12H,4-6H2,1-3H3;3*7-9,12H,4-6H2,1-3H3;6,8-9H,3-5,7H2,1-2H3;6-9,11H,5H2,1-4H3;5-6,13H,4H2,1-3H3;3*6-8,10H,3-5H2,1-2H3;6-7,10H,5H2,1-4H3;6-8,10H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3,(H,10,12);8-10H,4-7H2,1-3H3;5-6H,4,9H2,1-3H3;2*5-7,9H,4H2,1-3H3;4,6,9H,5H2,1-3H3;5-6,8H,4H2,1-3H3;3-5H,1-2H3,(H,10,11)/t2*10-;;2*9-;;;;;2*8-;;;;;;;;;;;/m10.10....10.........../s1
InChIKeyGXZJTMPNDJOYRA-JHGOQBMMSA-N
MW3865.63 g/mol
LogP33.25
Rot. Bonds49

About 4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole

4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole (PubChem CID 158400035) has the molecular formula C204H367F3N66O4 and a molecular weight of 3865.63 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole
PubChem CID158400035
Molecular FormulaC204H367F3N66O4
Molecular Weight3865.63 g/mol
Exact Mass3863.05
IUPAC Name4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole
SMILESCC(C)(C)n1cc(C2CCCN2)cn1.CC(C)(C)n1cc(CN)cn1.CC(C)(C)n1cc([C@@H]2CCCN2)cn1.CC(C)(C)n1cc([C@H]2CCCN2)cn1.CC(C)(C)n1cnc(C2CCCN2)c1.CC(C)(C)n1cnc([C@@H]2CCCN2)c1.CC(C)(C)n1cnc([C@H]2CCCN2)c1.CC(C)NCc1cnn(C(C)C)c1.CC(C)n1cc(C(=O)O)cn1.CC(C)n1cc(C2CCCN2)nn1.CC(C)n1cc(CN2CCC2)cn1.CC(C)n1cc([C@@H]2CCCN2)nn1.CC(C)n1cc([C@H]2CCCN2)nn1.CCNCc1cnn(C(C)C)c1.CNC(=O)C1CCN(C(C)C)C1.CNCC1CCN(C(C)C)C1.CNCc1cc(C(C)C)no1.CNCc1cn(C(C)C)c(C(F)(F)F)n1.CNCc1cn(C(C)C)c(C)n1.CNCc1cn(C(C)C)cn1.CNCc1cn(C(C)C)nn1.CNCc1cnn(C(C)C)c1
InChIInChI=1S/6C11H19N3.C10H17N3.C10H19N3.C9H14F3N3.3C9H16N4.2C9H17N3.C9H18N2O.C9H20N2.3C8H15N3.C8H14N2O.C7H14N4.C7H10N2O2/c3*1-11(2,3)14-8-9(7-13-14)10-5-4-6-12-10;3*1-11(2,3)14-7-10(13-8-14)9-5-4-6-12-9;1-9(2)13-8-10(6-11-13)7-12-4-3-5-12;1-8(2)11-5-10-6-12-13(7-10)9(3)4;1-6(2)15-5-7(4-13-3)14-8(15)9(10,11)12;3*1-7(2)13-6-9(11-12-13)8-4-3-5-10-8;1-7(2)12-6-9(5-10-4)11-8(12)3;1-4-10-5-9-6-11-12(7-9)8(2)3;1-7(2)11-5-4-8(6-11)9(12)10-3;1-8(2)11-5-4-9(7-11)6-10-3;1-8(2,3)11-6-7(4-9)5-10-11;1-7(2)11-5-8(4-9-3)10-6-11;1-7(2)11-6-8(4-9-3)5-10-11;1-6(2)8-4-7(5-9-3)11-10-8;1-6(2)11-5-7(4-8-3)9-10-11;1-5(2)9-4-6(3-8-9)7(10)11/h3*7-8,10,12H,4-6H2,1-3H3;3*7-9,12H,4-6H2,1-3H3;6,8-9H,3-5,7H2,1-2H3;6-9,11H,5H2,1-4H3;5-6,13H,4H2,1-3H3;3*6-8,10H,3-5H2,1-2H3;6-7,10H,5H2,1-4H3;6-8,10H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3,(H,10,12);8-10H,4-7H2,1-3H3;5-6H,4,9H2,1-3H3;2*5-7,9H,4H2,1-3H3;4,6,9H,5H2,1-3H3;5-6,8H,4H2,1-3H3;3-5H,1-2H3,(H,10,11)/t2*10-;;2*9-;;;;;2*8-;;;;;;;;;;;/m10.10....10.........../s1
InChIKeyGXZJTMPNDJOYRA-JHGOQBMMSA-N
XLogP33.25
TPSA734.85 Ų
H-Bond Donors21
H-Bond Acceptors68
Rotatable Bonds49
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003865.63
LogP ≤ 533.25
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1068

Analyze 4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole?
The IUPAC name of 4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole (CID 158400035) is 4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole is CC(C)(C)n1cc(C2CCCN2)cn1.CC(C)(C)n1cc(CN)cn1.CC(C)(C)n1cc([C@@H]2CCCN2)cn1.CC(C)(C)n1cc([C@H]2CCCN2)cn1.CC(C)(C)n1cnc(C2CCCN2)c1.CC(C)(C)n1cnc([C@@H]2CCCN2)c1.CC(C)(C)n1cnc([C@H]2CCCN2)c1.CC(C)NCc1cnn(C(C)C)c1.CC(C)n1cc(C(=O)O)cn1.CC(C)n1cc(C2CCCN2)nn1.CC(C)n1cc(CN2CCC2)cn1.CC(C)n1cc([C@@H]2CCCN2)nn1.CC(C)n1cc([C@H]2CCCN2)nn1.CCNCc1cnn(C(C)C)c1.CNC(=O)C1CCN(C(C)C)C1.CNCC1CCN(C(C)C)C1.CNCc1cc(C(C)C)no1.CNCc1cn(C(C)C)c(C(F)(F)F)n1.CNCc1cn(C(C)C)c(C)n1.CNCc1cn(C(C)C)cn1.CNCc1cn(C(C)C)nn1.CNCc1cnn(C(C)C)c1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole?
The InChIKey is GXZJTMPNDJOYRA-JHGOQBMMSA-N. The full InChI is InChI=1S/6C11H19N3.C10H17N3.C10H19N3.C9H14F3N3.3C9H16N4.2C9H17N3.C9H18N2O.C9H20N2.3C8H15N3.C8H14N2O.C7H14N4.C7H10N2O2/c3*1-11(2,3)14-8-9(7-13-14)10-5-4-6-12-10;3*1-11(2,3)14-7-10(13-8-14)9-5-4-6-12-9;1-9(2)13-8-10(6-11-13)7-12-4-3-5-12;1-8(2)11-5-10-6-12-13(7-10)9(3)4;1-6(2)15-5-7(4-13-3)14-8(15)9(10,11)12;3*1-7(2)13-6-9(11-12-13)8-4-3-5-10-8;1-7(2)12-6-9(5-10-4)11-8(12)3;1-4-10-5-9-6-11-12(7-9)8(2)3;1-7(2)11-5-4-8(6-11)9(12)10-3;1-8(2)11-5-4-9(7-11)6-10-3;1-8(2,3)11-6-7(4-9)5-10-11;1-7(2)11-5-8(4-9-3)10-6-11;1-7(2)11-6-8(4-9-3)5-10-11;1-6(2)8-4-7(5-9-3)11-10-8;1-6(2)11-5-7(4-8-3)9-10-11;1-5(2)9-4-6(3-8-9)7(10)11/h3*7-8,10,12H,4-6H2,1-3H3;3*7-9,12H,4-6H2,1-3H3;6,8-9H,3-5,7H2,1-2H3;6-9,11H,5H2,1-4H3;5-6,13H,4H2,1-3H3;3*6-8,10H,3-5H2,1-2H3;6-7,10H,5H2,1-4H3;6-8,10H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3,(H,10,12);8-10H,4-7H2,1-3H3;5-6H,4,9H2,1-3H3;2*5-7,9H,4H2,1-3H3;4,6,9H,5H2,1-3H3;5-6,8H,4H2,1-3H3;3-5H,1-2H3,(H,10,11)/t2*10-;;2*9-;;;;;2*8-;;;;;;;;;;;/m10.10....10.........../s1.
What are the key properties of 4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole?
4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole has a molecular weight of 3865.63 g/mol, XLogP of 33.25, 49 rotatable bonds, 21 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;(1-tert-butylpyrazol-4-yl)methanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-propan-2-yl-4-pyrrolidin-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole is sourced from PubChem (CID 158400035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).