1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C17H11F3N4O3 — CID 75429394

IUPAC1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(Nc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C17H11F3N4O3/c18-17(19,20)14-13(16(26)27)9-22-24(14)12-3-1-11(2-4-12)23-15(25)10-5-7-21-8-6-10/h1-9H,(H,23,25)(H,26,27)
InChIKeyHFEBNTVMOHMKPF-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.24
Rot. Bonds4

About 1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 75429394) has the molecular formula C17H11F3N4O3 and a molecular weight of 376.29 g/mol. Its IUPAC name is 1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID75429394
Molecular FormulaC17H11F3N4O3
Molecular Weight376.29 g/mol
Exact Mass376.08
IUPAC Name1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(Nc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C17H11F3N4O3/c18-17(19,20)14-13(16(26)27)9-22-24(14)12-3-1-11(2-4-12)23-15(25)10-5-7-21-8-6-10/h1-9H,(H,23,25)(H,26,27)
InChIKeyHFEBNTVMOHMKPF-UHFFFAOYSA-N
XLogP3.24
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-acetamidopropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 119227099
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
ethyl 1-[4-[(4-fluorophenyl)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 52583500
N-(4-carbamoylphenyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51285149
1-[4-(3-cyclobutylpropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 120523969
1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine
CID 159972267
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31786455
1-[4-(3-acetamidopropylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 119181000
1-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 120523976
1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511
N-pyridin-4-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39953963

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 75429394) is 1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is O=C(Nc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1)c1ccncc1.
What is the InChIKey of 1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is HFEBNTVMOHMKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O3/c18-17(19,20)14-13(16(26)27)9-22-24(14)12-3-1-11(2-4-12)23-15(25)10-5-7-21-8-6-10/h1-9H,(H,23,25)(H,26,27).
What are the key properties of 1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 376.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 75429394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).