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

C8H10F3N3O2 — CID 62728592

IUPAC2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
SMILESCOCCn1cc(NC(=O)C(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O2/c1-16-3-2-14-5-6(4-12-14)13-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,13,15)
InChIKeyHLPXILDGIPMQID-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.03
Rot. Bonds4

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

2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide (PubChem CID 62728592) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
PubChem CID62728592
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
SMILESCOCCn1cc(NC(=O)C(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O2/c1-16-3-2-14-5-6(4-12-14)13-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,13,15)
InChIKeyHLPXILDGIPMQID-UHFFFAOYSA-N
XLogP1.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide (CID 62728592) is 2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide is COCCn1cc(NC(=O)C(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide?
The InChIKey is HLPXILDGIPMQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-16-3-2-14-5-6(4-12-14)13-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide?
2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide has a molecular weight of 237.18 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 62728592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).