1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C17H17N3S — CID 57113209

IUPAC1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1ccc(Cn2nc(-c3cccs3)c3c2CCNC3)cc1
InChIInChI=1S/C17H17N3S/c1-2-5-13(6-3-1)12-20-15-8-9-18-11-14(15)17(19-20)16-7-4-10-21-16/h1-7,10,18H,8-9,11-12H2
InChIKeyXGYHQJLLODXFPN-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.31
Rot. Bonds3

About 1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 57113209) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID57113209
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1ccc(Cn2nc(-c3cccs3)c3c2CCNC3)cc1
InChIInChI=1S/C17H17N3S/c1-2-5-13(6-3-1)12-20-15-8-9-18-11-14(15)17(19-20)16-7-4-10-21-16/h1-7,10,18H,8-9,11-12H2
InChIKeyXGYHQJLLODXFPN-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 57113209) is 1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is c1ccc(Cn2nc(-c3cccs3)c3c2CCNC3)cc1.
What is the InChIKey of 1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is XGYHQJLLODXFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-2-5-13(6-3-1)12-20-15-8-9-18-11-14(15)17(19-20)16-7-4-10-21-16/h1-7,10,18H,8-9,11-12H2.
What are the key properties of 1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 295.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 57113209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).