2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C12H18F3N3O2 — CID 75505879

IUPAC2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)N(C)CC(F)(F)F)c(C)c1CCO
InChIInChI=1S/C12H18F3N3O2/c1-8-10(4-5-19)9(2)18(16-8)6-11(20)17(3)7-12(13,14)15/h19H,4-7H2,1-3H3
InChIKeyRDCGXINGXVXFTJ-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.06
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75505879) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75505879
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)N(C)CC(F)(F)F)c(C)c1CCO
InChIInChI=1S/C12H18F3N3O2/c1-8-10(4-5-19)9(2)18(16-8)6-11(20)17(3)7-12(13,14)15/h19H,4-7H2,1-3H3
InChIKeyRDCGXINGXVXFTJ-UHFFFAOYSA-N
XLogP1.06
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 75505879) is 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1nn(CC(=O)N(C)CC(F)(F)F)c(C)c1CCO.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RDCGXINGXVXFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-8-10(4-5-19)9(2)18(16-8)6-11(20)17(3)7-12(13,14)15/h19H,4-7H2,1-3H3.
What are the key properties of 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 293.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75505879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).