2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one

C10H13F3N2O — CID 118673440

IUPAC2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one
SMILESCC(C)C(=O)c1ccnn1CCC(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-7(2)9(16)8-3-5-14-15(8)6-4-10(11,12)13/h3,5,7H,4,6H2,1-2H3
InChIKeyUZLOMJHABKTTRM-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.67
Rot. Bonds4

About 2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one

2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one (PubChem CID 118673440) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one
PubChem CID118673440
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one
SMILESCC(C)C(=O)c1ccnn1CCC(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-7(2)9(16)8-3-5-14-15(8)6-4-10(11,12)13/h3,5,7H,4,6H2,1-2H3
InChIKeyUZLOMJHABKTTRM-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one (CID 118673440) is 2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one is CC(C)C(=O)c1ccnn1CCC(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one?
The InChIKey is UZLOMJHABKTTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7(2)9(16)8-3-5-14-15(8)6-4-10(11,12)13/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one?
2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one has a molecular weight of 234.22 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]propan-1-one is sourced from PubChem (CID 118673440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).