2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

C7H8F3N3O — CID 103855822

IUPAC2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C7H8F3N3O/c1-4(5-2-11-12-3-5)13-6(14)7(8,9)10/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyVGLWPAJNMGMDQJ-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.15
Rot. Bonds2

About 2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 103855822) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID103855822
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C7H8F3N3O/c1-4(5-2-11-12-3-5)13-6(14)7(8,9)10/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyVGLWPAJNMGMDQJ-UHFFFAOYSA-N
XLogP1.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 103855822) is 2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(NC(=O)C(F)(F)F)c1cn[nH]c1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is VGLWPAJNMGMDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4(5-2-11-12-3-5)13-6(14)7(8,9)10/h2-4H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 207.16 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103855822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).