N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C12H10F3N3O2 — CID 60506630

IUPACN-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cn[nH]c1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)20-10-3-1-8(2-4-10)5-11(19)18-9-6-16-17-7-9/h1-4,6-7H,5H2,(H,16,17)(H,18,19)
InChIKeyPNHZKKPJVJSDLV-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.49
Rot. Bonds4

About N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 60506630) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID60506630
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC NameN-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cn[nH]c1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)20-10-3-1-8(2-4-10)5-11(19)18-9-6-16-17-7-9/h1-4,6-7H,5H2,(H,16,17)(H,18,19)
InChIKeyPNHZKKPJVJSDLV-UHFFFAOYSA-N
XLogP2.49
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
1-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94773819
N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 177311596
N-[4-(sulfamoylmethyl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 60541692
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55746212
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18277342
2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid
CID 120540878
2-(3-hydroxyphenyl)-N-(1H-pyrazol-4-yl)acetamide
CID 61399438
N-[3-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide
CID 55797164
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 60506630) is N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is PNHZKKPJVJSDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)20-10-3-1-8(2-4-10)5-11(19)18-9-6-16-17-7-9/h1-4,6-7H,5H2,(H,16,17)(H,18,19).
What are the key properties of N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 285.23 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 60506630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).