N-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C16H25N3O3S — CID 138001810

IUPACN-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC1CCn2ncc(C(=O)NS(=O)(=O)CCC3CCCC3)c2C1
InChIInChI=1S/C16H25N3O3S/c1-12-6-8-19-15(10-12)14(11-17-19)16(20)18-23(21,22)9-7-13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H,18,20)
InChIKeyVDURZKWLWWXMPG-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.11
Rot. Bonds5

About N-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 138001810) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID138001810
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC1CCn2ncc(C(=O)NS(=O)(=O)CCC3CCCC3)c2C1
InChIInChI=1S/C16H25N3O3S/c1-12-6-8-19-15(10-12)14(11-17-19)16(20)18-23(21,22)9-7-13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H,18,20)
InChIKeyVDURZKWLWWXMPG-UHFFFAOYSA-N
XLogP2.11
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 165463014
(5S)-5-methyl-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 164641077
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide
CID 84598693
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 99704160
N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 124572390
1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide
CID 97101008
5-amino-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 165463017
(5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129489485
(5R)-N-propan-2-yl-5-[(thiophene-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129324176
methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
CID 118139533
(5S)-5-[[(4-cyanobenzoyl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129325025

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 138001810) is N-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC1CCn2ncc(C(=O)NS(=O)(=O)CCC3CCCC3)c2C1.
What is the InChIKey of N-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VDURZKWLWWXMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-6-8-19-15(10-12)14(11-17-19)16(20)18-23(21,22)9-7-13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H,18,20).
What are the key properties of N-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethylsulfonyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 138001810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).