2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N4O2 — CID 61114067

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)N(CCO)CC(F)(F)F)c(C)c1N
InChIInChI=1S/C11H17F3N4O2/c1-7-10(15)8(2)18(16-7)5-9(20)17(3-4-19)6-11(12,13)14/h19H,3-6,15H2,1-2H3
InChIKeyOXSVPPWPBWUIHJ-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.47
Rot. Bonds5

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

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61114067) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61114067
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)N(CCO)CC(F)(F)F)c(C)c1N
InChIInChI=1S/C11H17F3N4O2/c1-7-10(15)8(2)18(16-7)5-9(20)17(3-4-19)6-11(12,13)14/h19H,3-6,15H2,1-2H3
InChIKeyOXSVPPWPBWUIHJ-UHFFFAOYSA-N
XLogP0.47
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 61114067) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1nn(CC(=O)N(CCO)CC(F)(F)F)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OXSVPPWPBWUIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-7-10(15)8(2)18(16-7)5-9(20)17(3-4-19)6-11(12,13)14/h19H,3-6,15H2,1-2H3.
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 294.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61114067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).