N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C17H15ClN4OS — CID 121442818

IUPACN-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3cccs3)c2C1
InChIInChI=1S/C17H15ClN4OS/c18-11-3-1-4-12(9-11)19-17(23)22-7-6-14-13(10-22)16(21-20-14)15-5-2-8-24-15/h1-5,8-9H,6-7,10H2,(H,19,23)(H,20,21)
InChIKeyYFUPJYIRDZXAIG-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.38
Rot. Bonds2

About N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121442818) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121442818
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC NameN-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3cccs3)c2C1
InChIInChI=1S/C17H15ClN4OS/c18-11-3-1-4-12(9-11)19-17(23)22-7-6-14-13(10-22)16(21-20-14)15-5-2-8-24-15/h1-5,8-9H,6-7,10H2,(H,19,23)(H,20,21)
InChIKeyYFUPJYIRDZXAIG-UHFFFAOYSA-N
XLogP4.38
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121442818) is N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3cccs3)c2C1.
What is the InChIKey of N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is YFUPJYIRDZXAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c18-11-3-1-4-12(9-11)19-17(23)22-7-6-14-13(10-22)16(21-20-14)15-5-2-8-24-15/h1-5,8-9H,6-7,10H2,(H,19,23)(H,20,21).
What are the key properties of N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121442818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).