1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide

C18H13F3N4O3 — CID 53320375

IUPAC1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)n(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C18H13F3N4O3/c19-18(20,21)28-15-7-2-1-6-12(15)10-4-3-5-11(8-10)25-14(17(23)27)9-13(24-25)16(22)26/h1-9H,(H2,22,26)(H2,23,27)
InChIKeyNUSVQLKNXPBOPF-UHFFFAOYSA-N
MW390.32 g/mol
LogP2.64
Rot. Bonds5

About 1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide

1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide (PubChem CID 53320375) has the molecular formula C18H13F3N4O3 and a molecular weight of 390.32 g/mol. Its IUPAC name is 1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
PubChem CID53320375
Molecular FormulaC18H13F3N4O3
Molecular Weight390.32 g/mol
Exact Mass390.09
IUPAC Name1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)n(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C18H13F3N4O3/c19-18(20,21)28-15-7-2-1-6-12(15)10-4-3-5-11(8-10)25-14(17(23)27)9-13(24-25)16(22)26/h1-9H,(H2,22,26)(H2,23,27)
InChIKeyNUSVQLKNXPBOPF-UHFFFAOYSA-N
XLogP2.64
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide (CID 53320375) is 1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide is NC(=O)c1cc(C(N)=O)n(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.
What is the InChIKey of 1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide?
The InChIKey is NUSVQLKNXPBOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O3/c19-18(20,21)28-15-7-2-1-6-12(15)10-4-3-5-11(8-10)25-14(17(23)27)9-13(24-25)16(22)26/h1-9H,(H2,22,26)(H2,23,27).
What are the key properties of 1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide?
1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide has a molecular weight of 390.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 53320375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).