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

C23H24ClN5O3S — CID 39298461

IUPAC1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN5O3S/c1-15(2)22-20(14-26-29(22)18-10-8-16(24)9-11-18)23(30)27-17-5-3-6-19(13-17)33(31,32)28-21-7-4-12-25-21/h3,5-6,8-11,13-15H,4,7,12H2,1-2H3,(H,25,28)(H,27,30)
InChIKeyMFWOODICIMVEGH-UHFFFAOYSA-N
MW486.00 g/mol
LogP4.37
Rot. Bonds6

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

1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 39298461) has the molecular formula C23H24ClN5O3S and a molecular weight of 486.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID39298461
Molecular FormulaC23H24ClN5O3S
Molecular Weight486.00 g/mol
Exact Mass485.13
IUPAC Name1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN5O3S/c1-15(2)22-20(14-26-29(22)18-10-8-16(24)9-11-18)23(30)27-17-5-3-6-19(13-17)33(31,32)28-21-7-4-12-25-21/h3,5-6,8-11,13-15H,4,7,12H2,1-2H3,(H,25,28)(H,27,30)
InChIKeyMFWOODICIMVEGH-UHFFFAOYSA-N
XLogP4.37
TPSA105.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.00
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31814455
5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
CID 26901878
N-[3-(tert-butylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52577954
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 55350690
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 25162510
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
CID 9117099
2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide
CID 42905606
2-[[1-(4-chlorophenyl)cyclohexyl]amino]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
CID 75532375
1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55882154
1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 17489909
1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 71910271
1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 31892928

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 39298461) is 1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is MFWOODICIMVEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3S/c1-15(2)22-20(14-26-29(22)18-10-8-16(24)9-11-18)23(30)27-17-5-3-6-19(13-17)33(31,32)28-21-7-4-12-25-21/h3,5-6,8-11,13-15H,4,7,12H2,1-2H3,(H,25,28)(H,27,30).
What are the key properties of 1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 486.00 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 39298461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).