3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide

C17H12F3N3O2 — CID 11393872

IUPAC3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n[nH]1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)25-15-7-2-1-6-12(15)10-4-3-5-11(8-10)13-9-14(16(21)24)23-22-13/h1-9H,(H2,21,24)(H,22,23)
InChIKeyJSQSMCDHAOMPGH-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.74
Rot. Bonds4

About 3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide

3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 11393872) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID11393872
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n[nH]1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)25-15-7-2-1-6-12(15)10-4-3-5-11(8-10)13-9-14(16(21)24)23-22-13/h1-9H,(H2,21,24)(H,22,23)
InChIKeyJSQSMCDHAOMPGH-UHFFFAOYSA-N
XLogP3.74
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide (CID 11393872) is 3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide is NC(=O)c1cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n[nH]1.
What is the InChIKey of 3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JSQSMCDHAOMPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)25-15-7-2-1-6-12(15)10-4-3-5-11(8-10)13-9-14(16(21)24)23-22-13/h1-9H,(H2,21,24)(H,22,23).
What are the key properties of 3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide?
3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 11393872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).