1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide

C23H24FN5O3S — CID 33495801

IUPAC1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)cnn1-c1ccccc1F
InChIInChI=1S/C23H24FN5O3S/c1-16-19(15-26-29(16)21-8-5-4-7-20(21)24)23(30)27-17-10-12-18(13-11-17)33(31,32)28-22-9-3-2-6-14-25-22/h4-5,7-8,10-13,15H,2-3,6,9,14H2,1H3,(H,25,28)(H,27,30)
InChIKeyKAGZWWOZYJDTAL-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.82
Rot. Bonds5

About 1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide

1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 33495801) has the molecular formula C23H24FN5O3S and a molecular weight of 469.54 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID33495801
Molecular FormulaC23H24FN5O3S
Molecular Weight469.54 g/mol
Exact Mass469.16
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)cnn1-c1ccccc1F
InChIInChI=1S/C23H24FN5O3S/c1-16-19(15-26-29(16)21-8-5-4-7-20(21)24)23(30)27-17-10-12-18(13-11-17)33(31,32)28-22-9-3-2-6-14-25-22/h4-5,7-8,10-13,15H,2-3,6,9,14H2,1H3,(H,25,28)(H,27,30)
InChIKeyKAGZWWOZYJDTAL-UHFFFAOYSA-N
XLogP3.82
TPSA105.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

5-methyl-1-(2-methylphenyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 55605707
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521376
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
2-chloro-4,5-difluoro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 2107533
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 2324236
1-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 9426498
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521747
1-(2-fluorophenyl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrazole-4-carboxamide
CID 37186741
1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813716
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 134026070
1-(2-fluorophenyl)-5-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide
CID 33398323

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide (CID 33495801) is 1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)cnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is KAGZWWOZYJDTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3S/c1-16-19(15-26-29(16)21-8-5-4-7-20(21)24)23(30)27-17-10-12-18(13-11-17)33(31,32)28-22-9-3-2-6-14-25-22/h4-5,7-8,10-13,15H,2-3,6,9,14H2,1H3,(H,25,28)(H,27,30).
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide?
1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 33495801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).