tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride

C94H107Cl8F9N26O6 — CID 157241381

About tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride

tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride (PubChem CID 157241381) has the molecular formula C94H107Cl8F9N26O6 and a molecular weight of 2151.67 g/mol. Its IUPAC name is tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride
• PubChem CID: 157241381
• Molecular Formula: C94H107Cl8F9N26O6
• Molecular Weight: 2151.67 g/mol
• Exact Mass: 2146.62
• IUPAC Name: tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCCc2[nH]ncc21.CN[C@@H]1CCCC[C@H]1NC.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCCc2c1cnn2-c1ccc(Cl)cc1.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCCc2nn(-c3ccc(Cl)cc3)cc21.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O.Cl.Clc1ccc(-n2cc3c(n2)CCCN3)cc1.Clc1ccc(-n2ncc3c2CCCN3)cc1.c1n[nH]c2c1NCCC2
• InChI: InChI=1S/2C19H16Cl2F3N5O.2C12H12ClN3.C11H17N3O2.C8H18N2.C7H6ClF3N2O2.C6H9N3.ClH/c1-11-17(21)18(19(22,23)24)26-28(11)10-16(30)27-8-2-3-14-15(27)9-29(25-14)13-6-4-12(20)5-7-13;1-11-17(21)18(19(22,23)24)26-28(11)10-16(30)27-8-2-3-14-15(27)9-25-29(14)13-6-4-12(20)5-7-13;13-9-3-5-10(6-4-9)16-12-2-1-7-14-11(12)8-15-16;13-9-3-5-10(6-4-9)16-8-12-11(15-16)2-1-7-14-12;1-11(2,3)16-10(15)14-6-4-5-8-9(14)7-12-13-8;1-9-7-5-3-4-6-8(7)10-2;1-3-5(8)6(7(9,10)11)12-13(3)2-4(14)15;1-2-5-6(7-3-1)4-8-9-5;/h2*4-7,9H,2-3,8,10H2,1H3;2*3-6,8,14H,1-2,7H2;7H,4-6H2,1-3H3,(H,12,13);7-10H,3-6H2,1-2H3;2H2,1H3,(H,14,15);4,7H,1-3H2,(H,8,9);1H/t;;;;;7-,8-;;;/m.....1.../s1
• InChIKey: FIWXNFSTCAYZDN-BFLPVEFGSA-N
• XLogP: 21.10
• TPSA: 349.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2151.67
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride?

The IUPAC name of tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride (CID 157241381) is tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride.

What is the SMILES notation for tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride?

The canonical SMILES for tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride is CC(C)(C)OC(=O)N1CCCc2[nH]ncc21.CN[C@@H]1CCCC[C@H]1NC.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCCc2c1cnn2-c1ccc(Cl)cc1.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCCc2nn(-c3ccc(Cl)cc3)cc21.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O.Cl.Clc1ccc(-n2cc3c(n2)CCCN3)cc1.Clc1ccc(-n2ncc3c2CCCN3)cc1.c1n[nH]c2c1NCCC2.

What is the InChIKey of tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride?

The InChIKey is FIWXNFSTCAYZDN-BFLPVEFGSA-N. The full InChI is InChI=1S/2C19H16Cl2F3N5O.2C12H12ClN3.C11H17N3O2.C8H18N2.C7H6ClF3N2O2.C6H9N3.ClH/c1-11-17(21)18(19(22,23)24)26-28(11)10-16(30)27-8-2-3-14-15(27)9-29(25-14)13-6-4-12(20)5-7-13;1-11-17(21)18(19(22,23)24)26-28(11)10-16(30)27-8-2-3-14-15(27)9-25-29(14)13-6-4-12(20)5-7-13;13-9-3-5-10(6-4-9)16-12-2-1-7-14-11(12)8-15-16;13-9-3-5-10(6-4-9)16-8-12-11(15-16)2-1-7-14-12;1-11(2,3)16-10(15)14-6-4-5-8-9(14)7-12-13-8;1-9-7-5-3-4-6-8(7)10-2;1-3-5(8)6(7(9,10)11)12-13(3)2-4(14)15;1-2-5-6(7-3-1)4-8-9-5;/h2*4-7,9H,2-3,8,10H2,1H3;2*3-6,8,14H,1-2,7H2;7H,4-6H2,1-3H3,(H,12,13);7-10H,3-6H2,1-2H3;2H2,1H3,(H,14,15);4,7H,1-3H2,(H,8,9);1H/t;;;;;7-,8-;;;/m.....1.../s1.

What are the key properties of tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride?

tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride has a molecular weight of 2151.67 g/mol, XLogP of 21.10, 12 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride is sourced from PubChem (CID 157241381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).