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

C23H17F3N6O4S — CID 18549318

IUPAC1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c1
InChIInChI=1S/C23H17F3N6O4S/c24-23(25,26)19-11-17(32(31-19)15-5-3-4-13(10-15)21(27)33)22(34)30-20-9-8-14(12-29-20)16-6-1-2-7-18(16)37(28,35)36/h1-12H,(H2,27,33)(H2,28,35,36)(H,29,30,34)
InChIKeyMHHCDGFXYMZNIY-UHFFFAOYSA-N
MW530.49 g/mol
LogP2.95
Rot. Bonds6

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

1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 18549318) has the molecular formula C23H17F3N6O4S and a molecular weight of 530.49 g/mol. Its IUPAC name is 1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID18549318
Molecular FormulaC23H17F3N6O4S
Molecular Weight530.49 g/mol
Exact Mass530.10
IUPAC Name1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c1
InChIInChI=1S/C23H17F3N6O4S/c24-23(25,26)19-11-17(32(31-19)15-5-3-4-13(10-15)21(27)33)22(34)30-20-9-8-14(12-29-20)16-6-1-2-7-18(16)37(28,35)36/h1-12H,(H2,27,33)(H2,28,35,36)(H,29,30,34)
InChIKeyMHHCDGFXYMZNIY-UHFFFAOYSA-N
XLogP2.95
TPSA163.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.49
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 18549318) is 1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is NC(=O)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c1.
What is the InChIKey of 1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is MHHCDGFXYMZNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O4S/c24-23(25,26)19-11-17(32(31-19)15-5-3-4-13(10-15)21(27)33)22(34)30-20-9-8-14(12-29-20)16-6-1-2-7-18(16)37(28,35)36/h1-12H,(H2,27,33)(H2,28,35,36)(H,29,30,34).
What are the key properties of 1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 530.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 18549318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).