2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide

C17H14F3N5O3S — CID 19355406

IUPAC2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccncc2)c1C(F)(F)F
InChIInChI=1S/C17H14F3N5O3S/c18-17(19,20)16-14(10-5-7-23-8-6-10)15(24-25(16)9-13(21)26)11-1-3-12(4-2-11)29(22,27)28/h1-8H,9H2,(H2,21,26)(H2,22,27,28)
InChIKeyGXRUWIQQDXBODS-UHFFFAOYSA-N
MW425.39 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide

2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19355406) has the molecular formula C17H14F3N5O3S and a molecular weight of 425.39 g/mol. Its IUPAC name is 2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19355406
Molecular FormulaC17H14F3N5O3S
Molecular Weight425.39 g/mol
Exact Mass425.08
IUPAC Name2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccncc2)c1C(F)(F)F
InChIInChI=1S/C17H14F3N5O3S/c18-17(19,20)16-14(10-5-7-23-8-6-10)15(24-25(16)9-13(21)26)11-1-3-12(4-2-11)29(22,27)28/h1-8H,9H2,(H2,21,26)(H2,22,27,28)
InChIKeyGXRUWIQQDXBODS-UHFFFAOYSA-N
XLogP1.76
TPSA133.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Domatinostat
CID 15985904
(2R)-N-[(4-(18F)fluoro-2-pyridinyl)methyl]-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanamide
CID 155521368
N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934736
N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935189
3-[4-[3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490753
N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4879018
N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide
CID 57398895
4-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 19355820
N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 51347211
N-[1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934973
N-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935409
N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935413

Frequently Asked Questions

What is the IUPAC name of 2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19355406) is 2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide is NC(=O)Cn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccncc2)c1C(F)(F)F.
What is the InChIKey of 2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is GXRUWIQQDXBODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O3S/c18-17(19,20)16-14(10-5-7-23-8-6-10)15(24-25(16)9-13(21)26)11-1-3-12(4-2-11)29(22,27)28/h1-8H,9H2,(H2,21,26)(H2,22,27,28).
What are the key properties of 2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 425.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19355406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).