N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide

C9H13F3N4O2 — CID 103205723

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNc1cnn(CCNC(=O)COCC(F)(F)F)c1
InChIInChI=1S/C9H13F3N4O2/c10-9(11,12)6-18-5-8(17)14-1-2-16-4-7(13)3-15-16/h3-4H,1-2,5-6,13H2,(H,14,17)
InChIKeyHSXVQEXCLWIQSR-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.16
Rot. Bonds6

About N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103205723) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103205723
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNc1cnn(CCNC(=O)COCC(F)(F)F)c1
InChIInChI=1S/C9H13F3N4O2/c10-9(11,12)6-18-5-8(17)14-1-2-16-4-7(13)3-15-16/h3-4H,1-2,5-6,13H2,(H,14,17)
InChIKeyHSXVQEXCLWIQSR-UHFFFAOYSA-N
XLogP0.16
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103205723) is N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide is Nc1cnn(CCNC(=O)COCC(F)(F)F)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is HSXVQEXCLWIQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c10-9(11,12)6-18-5-8(17)14-1-2-16-4-7(13)3-15-16/h3-4H,1-2,5-6,13H2,(H,14,17).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 266.22 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103205723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).