N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide

C14H14F3N3O — CID 762228

IUPACN-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C14H14F3N3O/c1-10-8-12(14(15,16)17)18-20(10)9-13(21)19(2)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyCQSTUQBSUVBJIK-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.87
Rot. Bonds3

About N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide

N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide (PubChem CID 762228) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide
PubChem CID762228
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C14H14F3N3O/c1-10-8-12(14(15,16)17)18-20(10)9-13(21)19(2)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyCQSTUQBSUVBJIK-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide (CID 762228) is N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide is Cc1cc(C(F)(F)F)nn1CC(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide?
The InChIKey is CQSTUQBSUVBJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-10-8-12(14(15,16)17)18-20(10)9-13(21)19(2)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide?
N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide has a molecular weight of 297.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 762228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).