tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane

C94H187N15O6S10 — CID 158325041

About tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane

tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane (PubChem CID 158325041) has the molecular formula C94H187N15O6S10 and a molecular weight of 1944.30 g/mol. Its IUPAC name is tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane.

Molecular Properties

• Compound Name: tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane
• PubChem CID: 158325041
• Molecular Formula: C94H187N15O6S10
• Molecular Weight: 1944.30 g/mol
• Exact Mass: 1942.20
• IUPAC Name: tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C[C@H]1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cc2c(c(-c3cccs3)nn2C)CN1.C[C@H]1Cc2c(c(-c3cccs3)nn2C)CN1C(=O)OC(C)(C)C.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)OC(C)(C)C.S.S.S.S.S
• InChI: InChI=1S/2C17H23N3O2S.C16H21N3O2S.2C12H15N3S.20CH4.5H2S/c1-11-9-13-12(10-20(11)16(21)22-17(2,3)4)15(18-19(13)5)14-7-6-8-23-14;1-11-9-13-12(10-20(11)16(21)22-17(2,3)4)15(19(5)18-13)14-7-6-8-23-14;1-10-8-12-11(9-19(10)15(20)21-16(2,3)4)14(18-17-12)13-6-5-7-22-13;1-8-6-10-9(7-13-8)12(14-15(10)2)11-4-3-5-16-11;1-8-6-10-9(7-13-8)12(15(2)14-10)11-4-3-5-16-11;;;;;;;;;;;;;;;;;;;;;;;;;/h2*6-8,11H,9-10H2,1-5H3;5-7,10H,8-9H2,1-4H3,(H,17,18);2*3-5,8,13H,6-7H2,1-2H3;20*1H4;5*1H2/t2*11-;10-;2*8-;;;;;;;;;;;;;;;;;;;;;;;;;/m00000........................./s1
• InChIKey: GPHNUSGSERAPQB-BVYVHCRDSA-N
• XLogP: 29.13
• TPSA: 212.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 5
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1944.30
LogP ≤ 5	29.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane?

The IUPAC name of tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane (CID 158325041) is tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane.

What is the SMILES notation for tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane?

The canonical SMILES for tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C[C@H]1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cc2c(c(-c3cccs3)nn2C)CN1.C[C@H]1Cc2c(c(-c3cccs3)nn2C)CN1C(=O)OC(C)(C)C.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)OC(C)(C)C.S.S.S.S.S.

What is the InChIKey of tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane?

The InChIKey is GPHNUSGSERAPQB-BVYVHCRDSA-N. The full InChI is InChI=1S/2C17H23N3O2S.C16H21N3O2S.2C12H15N3S.20CH4.5H2S/c1-11-9-13-12(10-20(11)16(21)22-17(2,3)4)15(18-19(13)5)14-7-6-8-23-14;1-11-9-13-12(10-20(11)16(21)22-17(2,3)4)15(19(5)18-13)14-7-6-8-23-14;1-10-8-12-11(9-19(10)15(20)21-16(2,3)4)14(18-17-12)13-6-5-7-22-13;1-8-6-10-9(7-13-8)12(14-15(10)2)11-4-3-5-16-11;1-8-6-10-9(7-13-8)12(15(2)14-10)11-4-3-5-16-11;;;;;;;;;;;;;;;;;;;;;;;;;/h2*6-8,11H,9-10H2,1-5H3;5-7,10H,8-9H2,1-4H3,(H,17,18);2*3-5,8,13H,6-7H2,1-2H3;20*1H4;5*1H2/t2*11-;10-;2*8-;;;;;;;;;;;;;;;;;;;;;;;;;/m00000........................./s1.

What are the key properties of tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane?

tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane has a molecular weight of 1944.30 g/mol, XLogP of 29.13, 5 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane is sourced from PubChem (CID 158325041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).