N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide

C20H17ClF3N3O2 — CID 46597453

IUPACN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C20H17ClF3N3O2/c21-15-7-8-18(29-13-20(22,23)24)17(10-15)26-19(28)9-6-14-11-25-27(12-14)16-4-2-1-3-5-16/h1-5,7-8,10-12H,6,9,13H2,(H,26,28)
InChIKeyXMUQOEIHMWGQLI-UHFFFAOYSA-N
MW423.82 g/mol
LogP5.04
Rot. Bonds7

About N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 46597453) has the molecular formula C20H17ClF3N3O2 and a molecular weight of 423.82 g/mol. Its IUPAC name is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID46597453
Molecular FormulaC20H17ClF3N3O2
Molecular Weight423.82 g/mol
Exact Mass423.10
IUPAC NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C20H17ClF3N3O2/c21-15-7-8-18(29-13-20(22,23)24)17(10-15)26-19(28)9-6-14-11-25-27(12-14)16-4-2-1-3-5-16/h1-5,7-8,10-12H,6,9,13H2,(H,26,28)
InChIKeyXMUQOEIHMWGQLI-UHFFFAOYSA-N
XLogP5.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.82
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466691
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759004
N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 55471999
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031215
3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38033181
N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466177
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134027239
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 30473976
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 56790130

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 46597453) is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide is O=C(CCc1cnn(-c2ccccc2)c1)Nc1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is XMUQOEIHMWGQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O2/c21-15-7-8-18(29-13-20(22,23)24)17(10-15)26-19(28)9-6-14-11-25-27(12-14)16-4-2-1-3-5-16/h1-5,7-8,10-12H,6,9,13H2,(H,26,28).
What are the key properties of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 423.82 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 46597453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).