N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide

C15H18FN5O3S — CID 120882292

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESNS(=O)(=O)c1cnn(CCC(=O)Nc2ccc3c(c2F)CCNC3)c1
InChIInChI=1S/C15H18FN5O3S/c16-15-12-3-5-18-7-10(12)1-2-13(15)20-14(22)4-6-21-9-11(8-19-21)25(17,23)24/h1-2,8-9,18H,3-7H2,(H,20,22)(H2,17,23,24)
InChIKeyZOZGRVOPOCUJCH-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.34
Rot. Bonds5

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide (PubChem CID 120882292) has the molecular formula C15H18FN5O3S and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide
PubChem CID120882292
Molecular FormulaC15H18FN5O3S
Molecular Weight367.41 g/mol
Exact Mass367.11
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESNS(=O)(=O)c1cnn(CCC(=O)Nc2ccc3c(c2F)CCNC3)c1
InChIInChI=1S/C15H18FN5O3S/c16-15-12-3-5-18-7-10(12)1-2-13(15)20-14(22)4-6-21-9-11(8-19-21)25(17,23)24/h1-2,8-9,18H,3-7H2,(H,20,22)(H2,17,23,24)
InChIKeyZOZGRVOPOCUJCH-UHFFFAOYSA-N
XLogP0.34
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide
CID 71878691
2-(4-(1-methyl-1H-pyrazole-4-sulfonamido)phenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71806901
1-methyl-N-(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 71806995
methyl 7-(1-methyl-1H-pyrazole-4-sulfonamido)-3,4-dihydroisoquinoline-2(1H)-carboxylate
CID 71807103
N-(2,3-dimethylphenyl)-2-{4-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}acetamide
CID 17024361
N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71869074
1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide
CID 71890352
1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-4-carboxamide
CID 132346068
1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide
CID 24898601
2-(2-fluorophenyl)-N-[4-(1-piperidin-4-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide
CID 132109840
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide
CID 132109859
N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide
CID 155201268

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide (CID 120882292) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide is NS(=O)(=O)c1cnn(CCC(=O)Nc2ccc3c(c2F)CCNC3)c1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The InChIKey is ZOZGRVOPOCUJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O3S/c16-15-12-3-5-18-7-10(12)1-2-13(15)20-14(22)4-6-21-9-11(8-19-21)25(17,23)24/h1-2,8-9,18H,3-7H2,(H,20,22)(H2,17,23,24).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide has a molecular weight of 367.41 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-sulfamoylpyrazol-1-yl)propanamide is sourced from PubChem (CID 120882292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).