2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C9H13F3N4O2 — CID 63824758

IUPAC2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESNc1ccn(CC(=O)NCCOCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O2/c10-9(11,12)6-18-4-2-14-8(17)5-16-3-1-7(13)15-16/h1,3H,2,4-6H2,(H2,13,15)(H,14,17)
InChIKeyNORZQHWAHDEYNP-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.16
Rot. Bonds6

About 2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 63824758) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID63824758
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESNc1ccn(CC(=O)NCCOCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O2/c10-9(11,12)6-18-4-2-14-8(17)5-16-3-1-7(13)15-16/h1,3H,2,4-6H2,(H2,13,15)(H,14,17)
InChIKeyNORZQHWAHDEYNP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide
CID 62101709
2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62604621
2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide
CID 116642593
2-(3-aminopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 62102363
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 81341056
2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 55035632
2-(3-aminopyrazol-1-yl)-N-(3-phenylbutyl)acetamide
CID 62986610
2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64518365
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63828602
2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64519510
2-(3-aminopyrazol-1-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide
CID 62111534

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 63824758) is 2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is Nc1ccn(CC(=O)NCCOCC(F)(F)F)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is NORZQHWAHDEYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c10-9(11,12)6-18-4-2-14-8(17)5-16-3-1-7(13)15-16/h1,3H,2,4-6H2,(H2,13,15)(H,14,17).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]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 2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 63824758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).