N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide

C26H25N5O3S — CID 10163281

IUPACN-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3c(c2)CNCC3)n1
InChIInChI=1S/C26H25N5O3S/c1-17-14-25(31(30-17)22-11-10-18-12-13-28-16-21(18)15-22)29-26(32)20-8-6-19(7-9-20)23-4-2-3-5-24(23)35(27,33)34/h2-11,14-15,28H,12-13,16H2,1H3,(H,29,32)(H2,27,33,34)
InChIKeyNTCDUPRRXSGTFX-UHFFFAOYSA-N
MW487.59 g/mol
LogP3.39
Rot. Bonds5

About N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide

N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide (PubChem CID 10163281) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide.

Molecular Properties

Compound NameN-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide
PubChem CID10163281
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC NameN-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3c(c2)CNCC3)n1
InChIInChI=1S/C26H25N5O3S/c1-17-14-25(31(30-17)22-11-10-18-12-13-28-16-21(18)15-22)29-26(32)20-8-6-19(7-9-20)23-4-2-3-5-24(23)35(27,33)34/h2-11,14-15,28H,12-13,16H2,1H3,(H,29,32)(H2,27,33,34)
InChIKeyNTCDUPRRXSGTFX-UHFFFAOYSA-N
XLogP3.39
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide
CID 91541998
2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 21366667
2-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 85372060
2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 157118926
N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10276414
5-methyl-2-[3-(methylsulfinimidoyl)phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10896308
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 21366647
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide
CID 10207039

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide?
The IUPAC name of N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide (CID 10163281) is N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide.
What is the SMILES notation for N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide?
The canonical SMILES for N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3c(c2)CNCC3)n1.
What is the InChIKey of N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide?
The InChIKey is NTCDUPRRXSGTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c1-17-14-25(31(30-17)22-11-10-18-12-13-28-16-21(18)15-22)29-26(32)20-8-6-19(7-9-20)23-4-2-3-5-24(23)35(27,33)34/h2-11,14-15,28H,12-13,16H2,1H3,(H,29,32)(H2,27,33,34).
What are the key properties of N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide?
N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide has a molecular weight of 487.59 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide is sourced from PubChem (CID 10163281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).