1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C26H17F4N5O3S — CID 21366571

IUPAC1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)nc1
InChIInChI=1S/C26H17F4N5O3S/c27-19-11-15-5-1-2-6-16(15)12-20(19)35-21(13-23(34-35)26(28,29)30)25(36)33-24-10-9-17(14-32-24)18-7-3-4-8-22(18)39(31,37)38/h1-14H,(H2,31,37,38)(H,32,33,36)
InChIKeyYBZCBQRUMSYDKT-UHFFFAOYSA-N
MW555.51 g/mol
LogP5.15
Rot. Bonds5

About 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 21366571) has the molecular formula C26H17F4N5O3S and a molecular weight of 555.51 g/mol. Its IUPAC name is 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID21366571
Molecular FormulaC26H17F4N5O3S
Molecular Weight555.51 g/mol
Exact Mass555.10
IUPAC Name1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)nc1
InChIInChI=1S/C26H17F4N5O3S/c27-19-11-15-5-1-2-6-16(15)12-20(19)35-21(13-23(34-35)26(28,29)30)25(36)33-24-10-9-17(14-32-24)18-7-3-4-8-22(18)39(31,37)38/h1-14H,(H2,31,37,38)(H,32,33,36)
InChIKeyYBZCBQRUMSYDKT-UHFFFAOYSA-N
XLogP5.15
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.51
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

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Related Compounds

1-(1-aminoisoquinolin-7-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 9892106
1-(2,4-diaminoquinazolin-6-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10186048
1-(4-aminoquinazolin-6-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10228720
2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide
CID 9982428
N-[5-(2-Sulfamoylphenyl)-2-pyrimidinyl]-1-(3-amidinophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 10119254
2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide
CID 10719336
2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide
CID 18549309
1-(isoquinolin-7-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11059945
5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 20595087
2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide
CID 20595088
2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 21366553
2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide
CID 21366554

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 21366571) is 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)nc1.
What is the InChIKey of 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is YBZCBQRUMSYDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4N5O3S/c27-19-11-15-5-1-2-6-16(15)12-20(19)35-21(13-23(34-35)26(28,29)30)25(36)33-24-10-9-17(14-32-24)18-7-3-4-8-22(18)39(31,37)38/h1-14H,(H2,31,37,38)(H,32,33,36).
What are the key properties of 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 555.51 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 21366571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).