C123H184ClN27 — CID 158116666
1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine (PubChem CID 158116666) has the molecular formula C123H184ClN27 and a molecular weight of 2076.47 g/mol. Its IUPAC name is 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine.
| Compound Name | 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine |
|---|---|
| PubChem CID | 158116666 |
| Molecular Formula | C123H184ClN27 |
| Molecular Weight | 2076.47 g/mol |
| Exact Mass | 2074.49 |
| IUPAC Name | 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine |
| SMILES | CC(C)(C)n1cc(CN)cn1.CC(C)(C)n1cc([C@@H]2CCCN2)nn1.CC(C)(C)n1cc([C@H]2CCCN2)nn1.CC(C)C1=C(Cl)c2ccncc2C1.CC(C)C1=Cc2ccncc2C1.CC(C)c1cc2c(cn1)C=CC2.CC(C)c1cnc2c(c1)CC=C2.CC1=C(C(C)C)Cc2cnccc21.CN(C)Cc1cnn(C(C)(C)C)c1.CNCc1cn(C(C)(C)C)nn1.CNCc1cnn(C(C)(C)C)c1.Cc1nc2c(cc1C(C)C)CC=C2 |
| InChI | InChI=1S/2C12H15N.C11H12ClN.3C11H13N.2C10H18N4.C10H19N3.C9H17N3.C8H16N4.C8H15N3/c1-8(2)12-6-10-7-13-5-4-11(10)9(12)3;1-8(2)11-7-10-5-4-6-12(10)13-9(11)3;1-7(2)10-5-8-6-13-4-3-9(8)11(10)12;1-8(2)10-5-9-3-4-12-7-11(9)6-10;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-8(2)11-6-9-4-3-5-10(9)7-12-11;2*1-10(2,3)14-7-9(12-13-14)8-5-4-6-11-8;1-10(2,3)13-8-9(6-11-13)7-12(4)5;1-9(2,3)12-7-8(5-10-4)6-11-12;1-8(2,3)12-6-7(5-9-4)10-11-12;1-8(2,3)11-6-7(4-9)5-10-11/h4-5,7-8H,6H2,1-3H3;4,6-8H,5H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7-8H,6H2,1-2H3;2*3,5-8H,4H2,1-2H3;2*7-8,11H,4-6H2,1-3H3;6,8H,7H2,1-5H3;6-7,10H,5H2,1-4H3;6,9H,5H2,1-4H3;5-6H,4,9H2,1-3H3/t;;;;;;2*8-;;;;/m......10..../s1 |
| InChIKey | FRCAZIQDUCRBDX-GYVDPPDBSA-N |
| XLogP | 25.44 |
| TPSA | 300.31 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 151 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2076.47 |
| LogP ≤ 5 | 25.44 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 27 |