5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide

C30H30N4O4S — CID 10506677

IUPAC5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C2CC2)c(C(N)=O)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H30N4O4S/c1-2-18-34-25(27(29(31)35)28(32-34)22-16-17-22)19-20-12-14-21(15-13-20)24-10-6-7-11-26(24)39(37,38)33-30(36)23-8-4-3-5-9-23/h3-15,22H,2,16-19H2,1H3,(H2,31,35)(H,33,36)
InChIKeyDPZGJMKDURURPQ-UHFFFAOYSA-N
MW542.66 g/mol
LogP4.65
Rot. Bonds10

About 5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide

5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide (PubChem CID 10506677) has the molecular formula C30H30N4O4S and a molecular weight of 542.66 g/mol. Its IUPAC name is 5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide
PubChem CID10506677
Molecular FormulaC30H30N4O4S
Molecular Weight542.66 g/mol
Exact Mass542.20
IUPAC Name5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C2CC2)c(C(N)=O)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H30N4O4S/c1-2-18-34-25(27(29(31)35)28(32-34)22-16-17-22)19-20-12-14-21(15-13-20)24-10-6-7-11-26(24)39(37,38)33-30(36)23-8-4-3-5-9-23/h3-15,22H,2,16-19H2,1H3,(H2,31,35)(H,33,36)
InChIKeyDPZGJMKDURURPQ-UHFFFAOYSA-N
XLogP4.65
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.66
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide (CID 10506677) is 5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide is CCCn1nc(C2CC2)c(C(N)=O)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1.
What is the InChIKey of 5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide?
The InChIKey is DPZGJMKDURURPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4S/c1-2-18-34-25(27(29(31)35)28(32-34)22-16-17-22)19-20-12-14-21(15-13-20)24-10-6-7-11-26(24)39(37,38)33-30(36)23-8-4-3-5-9-23/h3-15,22H,2,16-19H2,1H3,(H2,31,35)(H,33,36).
What are the key properties of 5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide?
5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide has a molecular weight of 542.66 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 10506677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).