1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C17H12F3N3O2 — CID 142704193

IUPAC1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1cc(-c2cccc(-c3ccccc3)c2C(F)(F)F)n(O)n1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)15-11(10-5-2-1-3-6-10)7-4-8-12(15)14-9-13(16(21)24)22-23(14)25/h1-9,25H,(H2,21,24)
InChIKeyMKKWTWQAHXMFAR-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.57
Rot. Bonds3

About 1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 142704193) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID142704193
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1cc(-c2cccc(-c3ccccc3)c2C(F)(F)F)n(O)n1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)15-11(10-5-2-1-3-6-10)7-4-8-12(15)14-9-13(16(21)24)22-23(14)25/h1-9,25H,(H2,21,24)
InChIKeyMKKWTWQAHXMFAR-UHFFFAOYSA-N
XLogP3.57
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 53017439
4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 71455283
1,5-bis(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide
CID 177648672
1,5-bis(4-fluorophenyl)-N-hydroxy-4-methylpyrazole-3-carboxamide
CID 177650028
1-(4-fluorophenyl)-N-hydroxy-5-phenylpyrazole-3-carboxamide
CID 177661194
3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 53017437
3-[3-[2-[3-(trifluoromethyl)phenyl]phenyl]phenyl]-1H-pyrazole-5-carboxamide
CID 57839549
3-[3-[2-(3,5-difluorophenyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide
CID 57839554
3-[3-[2-(2,4-difluorophenyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide
CID 57839566
3-[3-[2-(3-fluorophenyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide
CID 57839570
3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide
CID 58121084
N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 66644354

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 142704193) is 1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is NC(=O)c1cc(-c2cccc(-c3ccccc3)c2C(F)(F)F)n(O)n1.
What is the InChIKey of 1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is MKKWTWQAHXMFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)15-11(10-5-2-1-3-6-10)7-4-8-12(15)14-9-13(16(21)24)22-23(14)25/h1-9,25H,(H2,21,24).
What are the key properties of 1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-[3-phenyl-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 142704193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).