5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C21H23N5O5S — CID 55561620

IUPAC5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1=NN(c2ccccc2)C(C(N)=O)C1
InChIInChI=1S/C21H23N5O5S/c1-31-19-10-9-15(32(29,30)25-13-7-8-13)11-16(19)23-21(28)17-12-18(20(22)27)26(24-17)14-5-3-2-4-6-14/h2-6,9-11,13,18,25H,7-8,12H2,1H3,(H2,22,27)(H,23,28)
InChIKeyYESMXPZNACOJHT-UHFFFAOYSA-N
MW457.51 g/mol
LogP1.19
Rot. Bonds8

About 5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 55561620) has the molecular formula C21H23N5O5S and a molecular weight of 457.51 g/mol. Its IUPAC name is 5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID55561620
Molecular FormulaC21H23N5O5S
Molecular Weight457.51 g/mol
Exact Mass457.14
IUPAC Name5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1=NN(c2ccccc2)C(C(N)=O)C1
InChIInChI=1S/C21H23N5O5S/c1-31-19-10-9-15(32(29,30)25-13-7-8-13)11-16(19)23-21(28)17-12-18(20(22)27)26(24-17)14-5-3-2-4-6-14/h2-6,9-11,13,18,25H,7-8,12H2,1H3,(H2,22,27)(H,23,28)
InChIKeyYESMXPZNACOJHT-UHFFFAOYSA-N
XLogP1.19
TPSA143.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 30671113
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 46535384
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 33159779
3-(cyclopropylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 18189816
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide
CID 119277803
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55871753
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55574013
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(dimethylamino)benzamide
CID 33159367
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43054001

Frequently Asked Questions

What is the IUPAC name of 5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 55561620) is 5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1=NN(c2ccccc2)C(C(N)=O)C1.
What is the InChIKey of 5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is YESMXPZNACOJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5S/c1-31-19-10-9-15(32(29,30)25-13-7-8-13)11-16(19)23-21(28)17-12-18(20(22)27)26(24-17)14-5-3-2-4-6-14/h2-6,9-11,13,18,25H,7-8,12H2,1H3,(H2,22,27)(H,23,28).
What are the key properties of 5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 457.51 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 55561620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).