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

C10H14F3N3O2 — CID 54962314

IUPAC2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)NCC(F)(F)F)c(C)c1CO
InChIInChI=1S/C10H14F3N3O2/c1-6-8(4-17)7(2)16(15-6)3-9(18)14-5-10(11,12)13/h17H,3-5H2,1-2H3,(H,14,18)
InChIKeyYUMMQEMLVJABAC-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.67
Rot. Bonds4

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

2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54962314) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54962314
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)NCC(F)(F)F)c(C)c1CO
InChIInChI=1S/C10H14F3N3O2/c1-6-8(4-17)7(2)16(15-6)3-9(18)14-5-10(11,12)13/h17H,3-5H2,1-2H3,(H,14,18)
InChIKeyYUMMQEMLVJABAC-UHFFFAOYSA-N
XLogP0.67
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 54962314) is 2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nn(CC(=O)NCC(F)(F)F)c(C)c1CO.
What is the InChIKey of 2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YUMMQEMLVJABAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6-8(4-17)7(2)16(15-6)3-9(18)14-5-10(11,12)13/h17H,3-5H2,1-2H3,(H,14,18).
What are the key properties of 2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.23 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54962314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).