N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H22F3N5O3S — CID 24573032

IUPACN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H22F3N5O3S/c1-28-11-13-29(14-12-28)34(32,33)18-9-7-16(8-10-18)27-21(31)19-15-26-30(20(19)22(23,24)25)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,27,31)
InChIKeyDXTFMTZBZFAJIT-UHFFFAOYSA-N
MW493.51 g/mol
LogP3.08
Rot. Bonds5

About N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 24573032) has the molecular formula C22H22F3N5O3S and a molecular weight of 493.51 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID24573032
Molecular FormulaC22H22F3N5O3S
Molecular Weight493.51 g/mol
Exact Mass493.14
IUPAC NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H22F3N5O3S/c1-28-11-13-29(14-12-28)34(32,33)18-9-7-16(8-10-18)27-21(31)19-15-26-30(20(19)22(23,24)25)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,27,31)
InChIKeyDXTFMTZBZFAJIT-UHFFFAOYSA-N
XLogP3.08
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813716
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide
CID 55607152
N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18229003
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165
1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24665224
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579150
N-[4-(azepan-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55465714
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
2-chloro-4,5-difluoro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 34071219

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 24573032) is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DXTFMTZBZFAJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O3S/c1-28-11-13-29(14-12-28)34(32,33)18-9-7-16(8-10-18)27-21(31)19-15-26-30(20(19)22(23,24)25)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,27,31).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 493.51 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24573032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).