N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C24H21FN6O3S — CID 36857260

IUPACN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C24H21FN6O3S/c25-17-8-10-19(11-9-17)31-24(30-13-1-2-14-30)21(16-27-31)23(32)28-18-5-3-6-20(15-18)35(33,34)29-22-7-4-12-26-22/h1-3,5-6,8-11,13-16H,4,7,12H2,(H,26,29)(H,28,32)
InChIKeyCMFXMSXHKVPDGS-UHFFFAOYSA-N
MW492.54 g/mol
LogP3.53
Rot. Bonds6

About N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 36857260) has the molecular formula C24H21FN6O3S and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID36857260
Molecular FormulaC24H21FN6O3S
Molecular Weight492.54 g/mol
Exact Mass492.14
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C24H21FN6O3S/c25-17-8-10-19(11-9-17)31-24(30-13-1-2-14-30)21(16-27-31)23(32)28-18-5-3-6-20(15-18)35(33,34)29-22-7-4-12-26-22/h1-3,5-6,8-11,13-16H,4,7,12H2,(H,26,29)(H,28,32)
InChIKeyCMFXMSXHKVPDGS-UHFFFAOYSA-N
XLogP3.53
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 36857260) is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is CMFXMSXHKVPDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3S/c25-17-8-10-19(11-9-17)31-24(30-13-1-2-14-30)21(16-27-31)23(32)28-18-5-3-6-20(15-18)35(33,34)29-22-7-4-12-26-22/h1-3,5-6,8-11,13-16H,4,7,12H2,(H,26,29)(H,28,32).
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 36857260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).