5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide

C14H13F3N4O3 — CID 89079844

IUPAC5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide
SMILESCCc1cc(Oc2ccc(N=O)cc2C(F)(F)F)nn1C(=O)NC
InChIInChI=1S/C14H13F3N4O3/c1-3-9-7-12(19-21(9)13(22)18-2)24-11-5-4-8(20-23)6-10(11)14(15,16)17/h4-7H,3H2,1-2H3,(H,18,22)
InChIKeyOCIZFSOUTMKGDR-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.84
Rot. Bonds4

About 5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide

5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide (PubChem CID 89079844) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide
PubChem CID89079844
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC Name5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide
SMILESCCc1cc(Oc2ccc(N=O)cc2C(F)(F)F)nn1C(=O)NC
InChIInChI=1S/C14H13F3N4O3/c1-3-9-7-12(19-21(9)13(22)18-2)24-11-5-4-8(20-23)6-10(11)14(15,16)17/h4-7H,3H2,1-2H3,(H,18,22)
InChIKeyOCIZFSOUTMKGDR-UHFFFAOYSA-N
XLogP3.84
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide?
The IUPAC name of 5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide (CID 89079844) is 5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide.
What is the SMILES notation for 5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide?
The canonical SMILES for 5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide is CCc1cc(Oc2ccc(N=O)cc2C(F)(F)F)nn1C(=O)NC.
What is the InChIKey of 5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide?
The InChIKey is OCIZFSOUTMKGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3/c1-3-9-7-12(19-21(9)13(22)18-2)24-11-5-4-8(20-23)6-10(11)14(15,16)17/h4-7H,3H2,1-2H3,(H,18,22).
What are the key properties of 5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide?
5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-3-[4-nitroso-2-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide is sourced from PubChem (CID 89079844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).