methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate

C15H18N4O4S — CID 71807103

IUPACmethyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCOC(=O)N1CCc2ccc(NS(=O)(=O)c3cnn(C)c3)cc2C1
InChIInChI=1S/C15H18N4O4S/c1-18-10-14(8-16-18)24(21,22)17-13-4-3-11-5-6-19(15(20)23-2)9-12(11)7-13/h3-4,7-8,10,17H,5-6,9H2,1-2H3
InChIKeyNPMZLUKQYYCIFW-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.35
Rot. Bonds3

About methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate

methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate (PubChem CID 71807103) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
PubChem CID71807103
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Namemethyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCOC(=O)N1CCc2ccc(NS(=O)(=O)c3cnn(C)c3)cc2C1
InChIInChI=1S/C15H18N4O4S/c1-18-10-14(8-16-18)24(21,22)17-13-4-3-11-5-6-19(15(20)23-2)9-12(11)7-13/h3-4,7-8,10,17H,5-6,9H2,1-2H3
InChIKeyNPMZLUKQYYCIFW-UHFFFAOYSA-N
XLogP1.35
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate with MolForge

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Related Compounds

1-methyl-N-(4-(2-morpholino-2-oxoethyl)phenyl)-1H-pyrazole-4-sulfonamide
CID 71806633
1-ethyl-N-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 6469112
1-methyl-N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 71806452
N-[1-(2-methoxyacetyl)-1,2,3,4-tetrahydroquinolin-7-yl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 71806503
1-methyl-N-(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 71806995
N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71869074
N-(3,4-Dimethylphenyl)-1-ethyl-5-fluoro-1H-pyrazole-4-sulfonamide
CID 119056252
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 120722213
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 120722431
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 120882220
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 120882292
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 120883550

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The IUPAC name of methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate (CID 71807103) is methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate.
What is the SMILES notation for methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The canonical SMILES for methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate is COC(=O)N1CCc2ccc(NS(=O)(=O)c3cnn(C)c3)cc2C1.
What is the InChIKey of methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The InChIKey is NPMZLUKQYYCIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-18-10-14(8-16-18)24(21,22)17-13-4-3-11-5-6-19(15(20)23-2)9-12(11)7-13/h3-4,7-8,10,17H,5-6,9H2,1-2H3.
What are the key properties of methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate?
methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate has a molecular weight of 350.40 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate is sourced from PubChem (CID 71807103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).