N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C13H19N3O4S — CID 164628411

IUPACN-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2c1CCCC2)[C@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C13H19N3O4S/c1-16(10-6-21(19,20)7-11(10)17)13(18)12-8-4-2-3-5-9(8)14-15-12/h10-11,17H,2-7H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyJHKPRQOVQHUNHQ-QWRGUYRKSA-N
MW313.38 g/mol
LogP-0.48
Rot. Bonds2

About N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 164628411) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID164628411
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2c1CCCC2)[C@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C13H19N3O4S/c1-16(10-6-21(19,20)7-11(10)17)13(18)12-8-4-2-3-5-9(8)14-15-12/h10-11,17H,2-7H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyJHKPRQOVQHUNHQ-QWRGUYRKSA-N
XLogP-0.48
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 109994735
N-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
CID 91834031
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 28097378
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 28097379
N-(1,1-dioxido-2,3-dihydro-3-thienyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
CID 45931117
(1,1-dioxo-1,4-thiazinan-4-yl)-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 46961742
(1,1-dioxo-1,4-thiazinan-4-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone
CID 51495152
(1,1-dioxo-1,4-thiazinan-4-yl)-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone
CID 51495153
N-cyclopentyl-5,5-dioxo-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole-3-carboxamide
CID 52103943
(5,5-dioxo-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 52103944
(5,5-dioxo-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 52103945
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(5,5-dioxo-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)methanone
CID 52103946

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 164628411) is N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CN(C(=O)c1n[nH]c2c1CCCC2)[C@H]1CS(=O)(=O)C[C@@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is JHKPRQOVQHUNHQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-16(10-6-21(19,20)7-11(10)17)13(18)12-8-4-2-3-5-9(8)14-15-12/h10-11,17H,2-7H2,1H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 164628411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).