N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C19H28N4O2S — CID 110403254

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(C(C)C)N1CCc2ccccc2C1
InChIInChI=1S/C19H28N4O2S/c1-13(2)18(23-10-9-16-7-5-6-8-17(16)12-23)11-20-26(24,25)19-14(3)21-22-15(19)4/h5-8,13,18,20H,9-12H2,1-4H3,(H,21,22)
InChIKeyUYLLTHQHQRRDRY-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.39
Rot. Bonds6

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 110403254) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID110403254
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(C(C)C)N1CCc2ccccc2C1
InChIInChI=1S/C19H28N4O2S/c1-13(2)18(23-10-9-16-7-5-6-8-17(16)12-23)11-20-26(24,25)19-14(3)21-22-15(19)4/h5-8,13,18,20H,9-12H2,1-4H3,(H,21,22)
InChIKeyUYLLTHQHQRRDRY-UHFFFAOYSA-N
XLogP2.39
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide with MolForge

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Related Compounds

3,5-dimethyl-N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 61018075
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3-phenylurea
CID 110403233
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide
CID 94060161
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110351776
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135930642
N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 92614256
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 35608543
N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120664979
N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 104693811
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole
CID 866895
N-(2-amino-3-hydroxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64540635
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64696182

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 110403254) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC(C(C)C)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is UYLLTHQHQRRDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-13(2)18(23-10-9-16-7-5-6-8-17(16)12-23)11-20-26(24,25)19-14(3)21-22-15(19)4/h5-8,13,18,20H,9-12H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 376.53 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110403254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).