3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide

C14H18N4O2S — CID 63901960

IUPAC3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C14H18N4O2S/c1-9-14(10(2)17-16-9)21(19,20)18-13-4-3-11-5-6-15-8-12(11)7-13/h3-4,7,15,18H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyFPHSQEKSYAJEHW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.47
Rot. Bonds3

About 3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 63901960) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
PubChem CID63901960
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C14H18N4O2S/c1-9-14(10(2)17-16-9)21(19,20)18-13-4-3-11-5-6-15-8-12(11)7-13/h3-4,7,15,18H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyFPHSQEKSYAJEHW-UHFFFAOYSA-N
XLogP1.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide
CID 103415147
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3H-1,3-thiazole-5-sulfonamide
CID 63901970
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112506067
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide
CID 63902148
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide (CID 63901960) is 3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)CNCC2.
What is the InChIKey of 3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is FPHSQEKSYAJEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-14(10(2)17-16-9)21(19,20)18-13-4-3-11-5-6-15-8-12(11)7-13/h3-4,7,15,18H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63901960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).