N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide

C12H10F3N3O — CID 71199648

IUPACN-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H10F3N3O/c1-8(19)16-9-2-4-10(5-3-9)18-7-6-11(17-18)12(13,14)15/h2-7H,1H3,(H,16,19)
InChIKeyWPAMTOZRDCXMND-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.85
Rot. Bonds2

About N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide

N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide (PubChem CID 71199648) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
PubChem CID71199648
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC NameN-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H10F3N3O/c1-8(19)16-9-2-4-10(5-3-9)18-7-6-11(17-18)12(13,14)15/h2-7H,1H3,(H,16,19)
InChIKeyWPAMTOZRDCXMND-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide (CID 71199648) is N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The InChIKey is WPAMTOZRDCXMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-8(19)16-9-2-4-10(5-3-9)18-7-6-11(17-18)12(13,14)15/h2-7H,1H3,(H,16,19).
What are the key properties of N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide has a molecular weight of 269.23 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 71199648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).