1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one

C10H13F3N2O2 — CID 103214183

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESCc1cc(CC(=O)COCC(F)(F)F)n(C)n1
InChIInChI=1S/C10H13F3N2O2/c1-7-3-8(15(2)14-7)4-9(16)5-17-6-10(11,12)13/h3H,4-6H2,1-2H3
InChIKeyDSVANMSZPIWOFF-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.42
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (PubChem CID 103214183) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
PubChem CID103214183
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESCc1cc(CC(=O)COCC(F)(F)F)n(C)n1
InChIInChI=1S/C10H13F3N2O2/c1-7-3-8(15(2)14-7)4-9(16)5-17-6-10(11,12)13/h3H,4-6H2,1-2H3
InChIKeyDSVANMSZPIWOFF-UHFFFAOYSA-N
XLogP1.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (CID 103214183) is 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is Cc1cc(CC(=O)COCC(F)(F)F)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The InChIKey is DSVANMSZPIWOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-7-3-8(15(2)14-7)4-9(16)5-17-6-10(11,12)13/h3H,4-6H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one has a molecular weight of 250.22 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is sourced from PubChem (CID 103214183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).