N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C77H66BrCl5F2N16O4 — CID 161145597

IUPACN-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1ccc(Br)c(Cl)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1ccc(F)c(Cl)c1F)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1cccc(Cl)c1Cl)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C20H19ClN4O.C19H16BrClN4O.C19H16Cl2N4O.C19H15ClF2N4O/c1-13-16(21)8-5-9-17(13)22-20(26)25-11-10-18-15(12-25)19(24-23-18)14-6-3-2-4-7-14;20-15-7-6-13(10-16(15)21)22-19(26)25-9-8-17-14(11-25)18(24-23-17)12-4-2-1-3-5-12;20-14-7-4-8-16(17(14)21)22-19(26)25-10-9-15-13(11-25)18(24-23-15)12-5-2-1-3-6-12;20-16-13(21)6-7-15(17(16)22)23-19(27)26-9-8-14-12(10-26)18(25-24-14)11-4-2-1-3-5-11/h2-9H,10-12H2,1H3,(H,22,26)(H,23,24);1-7,10H,8-9,11H2,(H,22,26)(H,23,24);1-8H,9-11H2,(H,22,26)(H,23,24);1-7H,8-10H2,(H,23,27)(H,24,25)
InChIKeyUNZUVZYKSODPHW-UHFFFAOYSA-N
MW1574.65 g/mol
LogP19.28
Rot. Bonds8

About N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 161145597) has the molecular formula C77H66BrCl5F2N16O4 and a molecular weight of 1574.65 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID161145597
Molecular FormulaC77H66BrCl5F2N16O4
Molecular Weight1574.65 g/mol
Exact Mass1570.30
IUPAC NameN-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1ccc(Br)c(Cl)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1ccc(F)c(Cl)c1F)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1cccc(Cl)c1Cl)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C20H19ClN4O.C19H16BrClN4O.C19H16Cl2N4O.C19H15ClF2N4O/c1-13-16(21)8-5-9-17(13)22-20(26)25-11-10-18-15(12-25)19(24-23-18)14-6-3-2-4-7-14;20-15-7-6-13(10-16(15)21)22-19(26)25-9-8-17-14(11-25)18(24-23-17)12-4-2-1-3-5-12;20-14-7-4-8-16(17(14)21)22-19(26)25-10-9-15-13(11-25)18(24-23-15)12-5-2-1-3-6-12;20-16-13(21)6-7-15(17(16)22)23-19(27)26-9-8-14-12(10-26)18(25-24-14)11-4-2-1-3-5-11/h2-9H,10-12H2,1H3,(H,22,26)(H,23,24);1-7,10H,8-9,11H2,(H,22,26)(H,23,24);1-8H,9-11H2,(H,22,26)(H,23,24);1-7H,8-10H2,(H,23,27)(H,24,25)
InChIKeyUNZUVZYKSODPHW-UHFFFAOYSA-N
XLogP19.28
TPSA244.08 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms105
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001574.65
LogP ≤ 519.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 161145597) is N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1c(Cl)cccc1NC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1ccc(Br)c(Cl)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1ccc(F)c(Cl)c1F)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1cccc(Cl)c1Cl)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is UNZUVZYKSODPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O.C19H16BrClN4O.C19H16Cl2N4O.C19H15ClF2N4O/c1-13-16(21)8-5-9-17(13)22-20(26)25-11-10-18-15(12-25)19(24-23-18)14-6-3-2-4-7-14;20-15-7-6-13(10-16(15)21)22-19(26)25-9-8-17-14(11-25)18(24-23-17)12-4-2-1-3-5-12;20-14-7-4-8-16(17(14)21)22-19(26)25-10-9-15-13(11-25)18(24-23-15)12-5-2-1-3-6-12;20-16-13(21)6-7-15(17(16)22)23-19(27)26-9-8-14-12(10-26)18(25-24-14)11-4-2-1-3-5-11/h2-9H,10-12H2,1H3,(H,22,26)(H,23,24);1-7,10H,8-9,11H2,(H,22,26)(H,23,24);1-8H,9-11H2,(H,22,26)(H,23,24);1-7H,8-10H2,(H,23,27)(H,24,25).
What are the key properties of N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1574.65 g/mol, XLogP of 19.28, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 161145597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).