3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde

C110H147Cl3F3N21O11 — CID 161479534

About 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde

3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde (PubChem CID 161479534) has the molecular formula C110H147Cl3F3N21O11 and a molecular weight of 2102.87 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde
• PubChem CID: 161479534
• Molecular Formula: C110H147Cl3F3N21O11
• Molecular Weight: 2102.87 g/mol
• Exact Mass: 2100.06
• IUPAC Name: 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde
• SMILES: CC/C=C/c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CC/C=C\c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCC=Cc1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)OC(C)(C)C)CC2.CCCCc1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCCCc1n[nH]c2c1CNCC2.CCCCc1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)OC(C)(C)C)CC2.CO.O=CC(F)(F)F.[H][H]
• InChI: InChI=1S/C23H33N3O3.C23H31N3O3.C17H21ClN4O.2C17H19ClN4O.C10H17N3.C2HF3O.CH4O.H2/c2*1-6-7-8-20-19-16-25(22(27)29-23(2,3)4)14-13-21(19)26(24-20)15-17-9-11-18(28-5)12-10-17;3*1-2-3-7-15-14-11-22(9-8-16(14)21-20-15)17(23)19-13-6-4-5-12(18)10-13;1-2-3-4-9-8-7-11-6-5-10(8)13-12-9;3-2(4,5)1-6;1-2;/h9-12H,6-8,13-16H2,1-5H3;7-12H,6,13-16H2,1-5H3;4-6,10H,2-3,7-9,11H2,1H3,(H,19,23)(H,20,21);2*3-7,10H,2,8-9,11H2,1H3,(H,19,23)(H,20,21);11H,2-7H2,1H3,(H,12,13);1H;2H,1H3;1H/b;;;7-3+;7-3-
• InChIKey: WEEAPEQFHNNDTC-QLWLGLIGSA-N
• XLogP: 23.38
• TPSA: 374.25 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2102.87
LogP ≤ 5	23.38
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde (CID 161479534) is 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde is CC/C=C/c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CC/C=C\c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCC=Cc1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)OC(C)(C)C)CC2.CCCCc1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCCCc1n[nH]c2c1CNCC2.CCCCc1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)OC(C)(C)C)CC2.CO.O=CC(F)(F)F.[H][H].

What is the InChIKey of 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde?

The InChIKey is WEEAPEQFHNNDTC-QLWLGLIGSA-N. The full InChI is InChI=1S/C23H33N3O3.C23H31N3O3.C17H21ClN4O.2C17H19ClN4O.C10H17N3.C2HF3O.CH4O.H2/c2*1-6-7-8-20-19-16-25(22(27)29-23(2,3)4)14-13-21(19)26(24-20)15-17-9-11-18(28-5)12-10-17;3*1-2-3-7-15-14-11-22(9-8-16(14)21-20-15)17(23)19-13-6-4-5-12(18)10-13;1-2-3-4-9-8-7-11-6-5-10(8)13-12-9;3-2(4,5)1-6;1-2;/h9-12H,6-8,13-16H2,1-5H3;7-12H,6,13-16H2,1-5H3;4-6,10H,2-3,7-9,11H2,1H3,(H,19,23)(H,20,21);2*3-7,10H,2,8-9,11H2,1H3,(H,19,23)(H,20,21);11H,2-7H2,1H3,(H,12,13);1H;2H,1H3;1H/b;;;7-3+;7-3-;;;;.

What are the key properties of 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde?

3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde has a molecular weight of 2102.87 g/mol, XLogP of 23.38, 24 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 161479534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).