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

C17H15ClN4OS — CID 121435049

IUPACN-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsc3)c2C1
InChIInChI=1S/C17H15ClN4OS/c18-12-2-1-3-13(8-12)19-17(23)22-6-4-15-14(9-22)16(21-20-15)11-5-7-24-10-11/h1-3,5,7-8,10H,4,6,9H2,(H,19,23)(H,20,21)
InChIKeyUBNBHORAQUSBRR-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.38
Rot. Bonds2

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

N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121435049) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121435049
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC NameN-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsc3)c2C1
InChIInChI=1S/C17H15ClN4OS/c18-12-2-1-3-13(8-12)19-17(23)22-6-4-15-14(9-22)16(21-20-15)11-5-7-24-10-11/h1-3,5,7-8,10H,4,6,9H2,(H,19,23)(H,20,21)
InChIKeyUBNBHORAQUSBRR-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-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121435049) is N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsc3)c2C1.
What is the InChIKey of N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is UBNBHORAQUSBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c18-12-2-1-3-13(8-12)19-17(23)22-6-4-15-14(9-22)16(21-20-15)11-5-7-24-10-11/h1-3,5,7-8,10H,4,6,9H2,(H,19,23)(H,20,21).
What are the key properties of N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chlorophenyl)-3-thiophen-3-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-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121435049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).