3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

C16H15N3OS — CID 118738015

IUPAC3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3cc4ccccc4s3)n[nH]c21
InChIInChI=1S/C16H15N3OS/c17-16(20)11-6-3-5-10-14(11)18-19-15(10)13-8-9-4-1-2-7-12(9)21-13/h1-2,4,7-8,11H,3,5-6H2,(H2,17,20)(H,18,19)
InChIKeyYBYRXGAVPYXDGX-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.20
Rot. Bonds2

About 3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 118738015) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID118738015
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3cc4ccccc4s3)n[nH]c21
InChIInChI=1S/C16H15N3OS/c17-16(20)11-6-3-5-10-14(11)18-19-15(10)13-8-9-4-1-2-7-12(9)21-13/h1-2,4,7-8,11H,3,5-6H2,(H2,17,20)(H,18,19)
InChIKeyYBYRXGAVPYXDGX-UHFFFAOYSA-N
XLogP3.20
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 118738015) is 3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is NC(=O)C1CCCc2c(-c3cc4ccccc4s3)n[nH]c21.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is YBYRXGAVPYXDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-16(20)11-6-3-5-10-14(11)18-19-15(10)13-8-9-4-1-2-7-12(9)21-13/h1-2,4,7-8,11H,3,5-6H2,(H2,17,20)(H,18,19).
What are the key properties of 3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 118738015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).