N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide

C18H24N4O3S — CID 70707443

IUPACN-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)Cn1cccn1)C2
InChIInChI=1S/C18H24N4O3S/c1-14(2)20(3)26(24,25)17-6-5-16-12-21(10-7-15(16)11-17)18(23)13-22-9-4-8-19-22/h4-6,8-9,11,14H,7,10,12-13H2,1-3H3
InChIKeyMGMJHEOMRWCCBQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.50
Rot. Bonds5

About N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide

N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide (PubChem CID 70707443) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide
PubChem CID70707443
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)Cn1cccn1)C2
InChIInChI=1S/C18H24N4O3S/c1-14(2)20(3)26(24,25)17-6-5-16-12-21(10-7-15(16)11-17)18(23)13-22-9-4-8-19-22/h4-6,8-9,11,14H,7,10,12-13H2,1-3H3
InChIKeyMGMJHEOMRWCCBQ-UHFFFAOYSA-N
XLogP1.50
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide with MolForge

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Related Compounds

1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyrazol-1-ylbutan-1-one
CID 131896896
2-(3-aminopropanoyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 70777075
N-methyl-2-(3-methylbutanoyl)-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70708718
2-propanoyl-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride
CID 82022988
N-methyl-N-[(1S)-1-phenylethyl]-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 168898252
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110370914
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95344571
1-acetyl-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 115776398
2-[(2R)-2-aminopropanoyl]-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 70749130
2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 30957291
N,N-dimethyl-7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110644460
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-ethylimidazol-2-yl)sulfanylethanone
CID 134010410

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide?
The IUPAC name of N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide (CID 70707443) is N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide?
The canonical SMILES for N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide is CC(C)N(C)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)Cn1cccn1)C2.
What is the InChIKey of N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide?
The InChIKey is MGMJHEOMRWCCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-14(2)20(3)26(24,25)17-6-5-16-12-21(10-7-15(16)11-17)18(23)13-22-9-4-8-19-22/h4-6,8-9,11,14H,7,10,12-13H2,1-3H3.
What are the key properties of N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide?
N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide is sourced from PubChem (CID 70707443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).