5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C15H15N3S — CID 29153902

IUPAC5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESc1cc2cc(CN3CCc4[nH]ncc4C3)ccc2s1
InChIInChI=1S/C15H15N3S/c1-2-15-12(4-6-19-15)7-11(1)9-18-5-3-14-13(10-18)8-16-17-14/h1-2,4,6-8H,3,5,9-10H2,(H,16,17)
InChIKeyPSJBDLCGYGYBEW-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.18
Rot. Bonds2

About 5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 29153902) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID29153902
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESc1cc2cc(CN3CCc4[nH]ncc4C3)ccc2s1
InChIInChI=1S/C15H15N3S/c1-2-15-12(4-6-19-15)7-11(1)9-18-5-3-14-13(10-18)8-16-17-14/h1-2,4,6-8H,3,5,9-10H2,(H,16,17)
InChIKeyPSJBDLCGYGYBEW-UHFFFAOYSA-N
XLogP3.18
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 29153902) is 5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is c1cc2cc(CN3CCc4[nH]ncc4C3)ccc2s1.
What is the InChIKey of 5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is PSJBDLCGYGYBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-15-12(4-6-19-15)7-11(1)9-18-5-3-14-13(10-18)8-16-17-14/h1-2,4,6-8H,3,5,9-10H2,(H,16,17).
What are the key properties of 5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 269.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 29153902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).