N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide

C14H16N4O3S — CID 167861357

IUPACN-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)NS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C14H16N4O3S/c19-14(9-13-5-7-15-16-13)17-22(20,21)18-8-6-11-3-1-2-4-12(11)10-18/h1-5,7H,6,8-10H2,(H,15,16)(H,17,19)
InChIKeyHKMDONNCWHSYRH-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.37
Rot. Bonds4

About N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide

N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 167861357) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide
PubChem CID167861357
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)NS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C14H16N4O3S/c19-14(9-13-5-7-15-16-13)17-22(20,21)18-8-6-11-3-1-2-4-12(11)10-18/h1-5,7H,6,8-10H2,(H,15,16)(H,17,19)
InChIKeyHKMDONNCWHSYRH-UHFFFAOYSA-N
XLogP0.37
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide 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

2-(1H-pyrazol-5-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 102691582
1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-propylurea
CID 134112214
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 61021543
N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 63823161
N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 10891526
N'-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzohydrazide
CID 71936989
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2,2-dimethylpropanoic acid
CID 115427470
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2-methylpropanoic acid
CID 62675363
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 16809520
N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 104873267

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide (CID 167861357) is N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide is O=C(Cc1ccn[nH]1)NS(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is HKMDONNCWHSYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c19-14(9-13-5-7-15-16-13)17-22(20,21)18-8-6-11-3-1-2-4-12(11)10-18/h1-5,7H,6,8-10H2,(H,15,16)(H,17,19).
What are the key properties of N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide?
N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 320.37 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 167861357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).