2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

C7H8F3N3O — CID 61021666

IUPAC2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4-5(3-12-13-4)2-11-6(14)7(8,9)10/h3H,2H2,1H3,(H,11,14)(H,12,13)
InChIKeyGUJZYPSKTWSKPC-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.90
Rot. Bonds2

About 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 61021666) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID61021666
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4-5(3-12-13-4)2-11-6(14)7(8,9)10/h3H,2H2,1H3,(H,11,14)(H,12,13)
InChIKeyGUJZYPSKTWSKPC-UHFFFAOYSA-N
XLogP0.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.90
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-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (CID 61021666) is 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is Cc1[nH]ncc1CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is GUJZYPSKTWSKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4-5(3-12-13-4)2-11-6(14)7(8,9)10/h3H,2H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 207.15 g/mol, XLogP of 0.90, 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-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 61021666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).