4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide

C21H24N4O5S — CID 55381026

IUPAC4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2OC)cc1
InChIInChI=1S/C21H24N4O5S/c1-15(14-29-2)24-31(27,28)18-11-9-16(10-12-18)22-21(26)20-19(30-3)13-25(23-20)17-7-5-4-6-8-17/h4-13,15,24H,14H2,1-3H3,(H,22,26)
InChIKeyCFTYNMSSPZIXMD-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.45
Rot. Bonds9

About 4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide

4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 55381026) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
PubChem CID55381026
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2OC)cc1
InChIInChI=1S/C21H24N4O5S/c1-15(14-29-2)24-31(27,28)18-11-9-16(10-12-18)22-21(26)20-19(30-3)13-25(23-20)17-7-5-4-6-8-17/h4-13,15,24H,14H2,1-3H3,(H,22,26)
InChIKeyCFTYNMSSPZIXMD-UHFFFAOYSA-N
XLogP2.45
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561064
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 55892920
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 51548997
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 42999581
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992073

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide (CID 55381026) is 4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide is COCC(C)NS(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2OC)cc1.
What is the InChIKey of 4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is CFTYNMSSPZIXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-15(14-29-2)24-31(27,28)18-11-9-16(10-12-18)22-21(26)20-19(30-3)13-25(23-20)17-7-5-4-6-8-17/h4-13,15,24H,14H2,1-3H3,(H,22,26).
What are the key properties of 4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide?
4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55381026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).