2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

C19H15F4N3O2 — CID 55520422

IUPAC2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2ccccc2F)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H15F4N3O2/c1-12-9-17(24-18(27)11-28-16-8-3-2-7-15(16)20)26(25-12)14-6-4-5-13(10-14)19(21,22)23/h2-10H,11H2,1H3,(H,24,27)
InChIKeyZSBAHBWQKIRJGF-UHFFFAOYSA-N
MW393.34 g/mol
LogP4.36
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (PubChem CID 55520422) has the molecular formula C19H15F4N3O2 and a molecular weight of 393.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
PubChem CID55520422
Molecular FormulaC19H15F4N3O2
Molecular Weight393.34 g/mol
Exact Mass393.11
IUPAC Name2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2ccccc2F)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H15F4N3O2/c1-12-9-17(24-18(27)11-28-16-8-3-2-7-15(16)20)26(25-12)14-6-4-5-13(10-14)19(21,22)23/h2-10H,11H2,1H3,(H,24,27)
InChIKeyZSBAHBWQKIRJGF-UHFFFAOYSA-N
XLogP4.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 55503557
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55503346
2-(3,5-difluorophenoxy)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 53384949
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55574732
2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135753266
4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 55871877
N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42571902
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55502745
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 35534820
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanylpropanamide
CID 55503347
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
CID 55480987

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (CID 55520422) is 2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is Cc1cc(NC(=O)COc2ccccc2F)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The InChIKey is ZSBAHBWQKIRJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O2/c1-12-9-17(24-18(27)11-28-16-8-3-2-7-15(16)20)26(25-12)14-6-4-5-13(10-14)19(21,22)23/h2-10H,11H2,1H3,(H,24,27).
What are the key properties of 2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide has a molecular weight of 393.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 55520422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).