2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C9H13F3N4O2 — CID 61114068

IUPAC2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cnn(CC(=O)N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C9H13F3N4O2/c10-9(11,12)6-15(1-2-17)8(18)5-16-4-7(13)3-14-16/h3-4,17H,1-2,5-6,13H2
InChIKeyNOUPSSXRJODCJX-UHFFFAOYSA-N
MW266.22 g/mol
LogP-0.15
Rot. Bonds5

About 2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61114068) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61114068
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cnn(CC(=O)N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C9H13F3N4O2/c10-9(11,12)6-15(1-2-17)8(18)5-16-4-7(13)3-14-16/h3-4,17H,1-2,5-6,13H2
InChIKeyNOUPSSXRJODCJX-UHFFFAOYSA-N
XLogP-0.15
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 61114068) is 2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is Nc1cnn(CC(=O)N(CCO)CC(F)(F)F)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NOUPSSXRJODCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c10-9(11,12)6-15(1-2-17)8(18)5-16-4-7(13)3-14-16/h3-4,17H,1-2,5-6,13H2.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 266.22 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61114068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).