3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide

C17H21N3O3S — CID 91629655

IUPAC3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCc1cnn2c1CCCC2
InChIInChI=1S/C17H21N3O3S/c21-17(9-11-24(22,23)15-6-2-1-3-7-15)18-12-14-13-19-20-10-5-4-8-16(14)20/h1-3,6-7,13H,4-5,8-12H2,(H,18,21)
InChIKeyBJXQFIXSEDBNHJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.70
Rot. Bonds6

About 3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide

3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide (PubChem CID 91629655) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
PubChem CID91629655
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCc1cnn2c1CCCC2
InChIInChI=1S/C17H21N3O3S/c21-17(9-11-24(22,23)15-6-2-1-3-7-15)18-12-14-13-19-20-10-5-4-8-16(14)20/h1-3,6-7,13H,4-5,8-12H2,(H,18,21)
InChIKeyBJXQFIXSEDBNHJ-UHFFFAOYSA-N
XLogP1.70
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide (CID 91629655) is 3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCc1cnn2c1CCCC2.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide?
The InChIKey is BJXQFIXSEDBNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-17(9-11-24(22,23)15-6-2-1-3-7-15)18-12-14-13-19-20-10-5-4-8-16(14)20/h1-3,6-7,13H,4-5,8-12H2,(H,18,21).
What are the key properties of 3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide?
3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 91629655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).