2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide

C12H10F3N3O — CID 175751868

IUPAC2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(-n2cc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)9-6-17-18(7-9)10-3-1-8(2-4-10)5-11(16)19/h1-4,6-7H,5H2,(H2,16,19)
InChIKeyURDAAFGISIEZQP-UHFFFAOYSA-N
MW269.23 g/mol
LogP1.92
Rot. Bonds3

About 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide

2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide (PubChem CID 175751868) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
PubChem CID175751868
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(-n2cc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)9-6-17-18(7-9)10-3-1-8(2-4-10)5-11(16)19/h1-4,6-7H,5H2,(H2,16,19)
InChIKeyURDAAFGISIEZQP-UHFFFAOYSA-N
XLogP1.92
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662
2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
CID 175751841
1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole
CID 130252820
1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one
CID 112583755
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide
CID 113321273
2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol
CID 174706601
4,4-difluoro-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322522
1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one
CID 117230412
2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 87486222
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 64782151
1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
CID 84803212

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide (CID 175751868) is 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide is NC(=O)Cc1ccc(-n2cc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The InChIKey is URDAAFGISIEZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)9-6-17-18(7-9)10-3-1-8(2-4-10)5-11(16)19/h1-4,6-7H,5H2,(H2,16,19).
What are the key properties of 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide has a molecular weight of 269.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 175751868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).