2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide

C8H10F3N3O2 — CID 130497701

IUPAC2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
SMILESCOc1cc(CNC(=O)C(F)(F)F)nn1C
InChIInChI=1S/C8H10F3N3O2/c1-14-6(16-2)3-5(13-14)4-12-7(15)8(9,10)11/h3H,4H2,1-2H3,(H,12,15)
InChIKeyKDZYTZHLGRMLDT-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.61
Rot. Bonds3

About 2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide

2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 130497701) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
PubChem CID130497701
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
SMILESCOc1cc(CNC(=O)C(F)(F)F)nn1C
InChIInChI=1S/C8H10F3N3O2/c1-14-6(16-2)3-5(13-14)4-12-7(15)8(9,10)11/h3H,4H2,1-2H3,(H,12,15)
InChIKeyKDZYTZHLGRMLDT-UHFFFAOYSA-N
XLogP0.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide
CID 114255886
4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide
CID 114255745
3,3,3-trifluoro-2-[[(5-methoxy-1-methylpyrazol-3-yl)methylamino]methyl]propanoic acid
CID 114256089
2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid
CID 114256149
3-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 114256151
4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide
CID 114255881
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide
CID 114255764
N-(2-methoxyethyl)-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
CID 114255770
N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
CID 114255775
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 114255877
(3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 114255871
3-ethyl-5-methoxy-1-methylpyrazole
CID 165138939

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide (CID 130497701) is 2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide is COc1cc(CNC(=O)C(F)(F)F)nn1C.
What is the InChIKey of 2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is KDZYTZHLGRMLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-14-6(16-2)3-5(13-14)4-12-7(15)8(9,10)11/h3H,4H2,1-2H3,(H,12,15).
What are the key properties of 2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 237.18 g/mol, XLogP of 0.61, 3 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-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 130497701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).