2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide

C14H13BrF3N3O2 — CID 110278322

IUPAC2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C14H13BrF3N3O2/c1-9(23-12-5-3-2-4-11(12)15)13(22)20-10-6-19-21(7-10)8-14(16,17)18/h2-7,9H,8H2,1H3,(H,20,22)
InChIKeyPNNZYVCLGPOQIX-UHFFFAOYSA-N
MW392.18 g/mol
LogP3.61
Rot. Bonds5

About 2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide

2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide (PubChem CID 110278322) has the molecular formula C14H13BrF3N3O2 and a molecular weight of 392.18 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
PubChem CID110278322
Molecular FormulaC14H13BrF3N3O2
Molecular Weight392.18 g/mol
Exact Mass391.01
IUPAC Name2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C14H13BrF3N3O2/c1-9(23-12-5-3-2-4-11(12)15)13(22)20-10-6-19-21(7-10)8-14(16,17)18/h2-7,9H,8H2,1H3,(H,20,22)
InChIKeyPNNZYVCLGPOQIX-UHFFFAOYSA-N
XLogP3.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.18
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
CID 7394881
2-(2-bromophenoxy)-N-(4-methylphenyl)propanamide
CID 112777983
2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 84603771
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
3-[2-(2-bromophenoxy)propanoylamino]benzoic acid
CID 17341904
2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 134701485
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 110278313
2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 6472883
4-[2-(2-bromophenoxy)propanoylamino]benzamide
CID 84603766
(2R)-2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 40639361
(2R)-2-(2-bromophenoxy)-N-(2-fluorophenyl)propanamide
CID 7707082

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide (CID 110278322) is 2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide is CC(Oc1ccccc1Br)C(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The InChIKey is PNNZYVCLGPOQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3O2/c1-9(23-12-5-3-2-4-11(12)15)13(22)20-10-6-19-21(7-10)8-14(16,17)18/h2-7,9H,8H2,1H3,(H,20,22).
What are the key properties of 2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide has a molecular weight of 392.18 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 110278322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).