3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one

C9H8F6N2O2 — CID 103311593

IUPAC3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
SMILESCOc1cnn(C)c1C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6N2O2/c1-17-5(4(19-2)3-16-17)6(18)7(8(10,11)12)9(13,14)15/h3,7H,1-2H3
InChIKeyNPCLIZUYOLCXOD-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.35
Rot. Bonds3

About 3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one

3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one (PubChem CID 103311593) has the molecular formula C9H8F6N2O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
PubChem CID103311593
Molecular FormulaC9H8F6N2O2
Molecular Weight290.16 g/mol
Exact Mass290.05
IUPAC Name3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
SMILESCOc1cnn(C)c1C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6N2O2/c1-17-5(4(19-2)3-16-17)6(18)7(8(10,11)12)9(13,14)15/h3,7H,1-2H3
InChIKeyNPCLIZUYOLCXOD-UHFFFAOYSA-N
XLogP2.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311596
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 114642497
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641358
(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
CID 104940695
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214413
2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one
CID 114670977
2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone
CID 114670723
2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114639081
(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114641498

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one (CID 103311593) is 3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one is COc1cnn(C)c1C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one?
The InChIKey is NPCLIZUYOLCXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O2/c1-17-5(4(19-2)3-16-17)6(18)7(8(10,11)12)9(13,14)15/h3,7H,1-2H3.
What are the key properties of 3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one?
3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one has a molecular weight of 290.16 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103311593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).