1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide

C19H16F3N3O2 — CID 90465420

IUPAC1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1cc(-c2cccc(COCC(F)(F)F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)12-27-11-13-5-4-6-14(9-13)17-10-16(18(23)26)24-25(17)15-7-2-1-3-8-15/h1-10H,11-12H2,(H2,23,26)
InChIKeyCYKIJLGFLDYDDV-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.72
Rot. Bonds6

About 1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide

1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 90465420) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide
PubChem CID90465420
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1cc(-c2cccc(COCC(F)(F)F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)12-27-11-13-5-4-6-14(9-13)17-10-16(18(23)26)24-25(17)15-7-2-1-3-8-15/h1-10H,11-12H2,(H2,23,26)
InChIKeyCYKIJLGFLDYDDV-UHFFFAOYSA-N
XLogP3.72
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide (CID 90465420) is 1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide is NC(=O)c1cc(-c2cccc(COCC(F)(F)F)c2)n(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is CYKIJLGFLDYDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)12-27-11-13-5-4-6-14(9-13)17-10-16(18(23)26)24-25(17)15-7-2-1-3-8-15/h1-10H,11-12H2,(H2,23,26).
What are the key properties of 1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide?
1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 90465420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).