2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one

C10H13F3N2O — CID 59637063

IUPAC2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one
SMILESCn1nc(C(F)(F)F)cc1C(=O)C(C)(C)C
InChIInChI=1S/C10H13F3N2O/c1-9(2,3)8(16)6-5-7(10(11,12)13)14-15(6)4/h5H,1-4H3
InChIKeyNRDNDGPFNFTZGF-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.67
Rot. Bonds1

About 2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one

2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one (PubChem CID 59637063) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one
PubChem CID59637063
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one
SMILESCn1nc(C(F)(F)F)cc1C(=O)C(C)(C)C
InChIInChI=1S/C10H13F3N2O/c1-9(2,3)8(16)6-5-7(10(11,12)13)14-15(6)4/h5H,1-4H3
InChIKeyNRDNDGPFNFTZGF-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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 2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one (CID 59637063) is 2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one is Cn1nc(C(F)(F)F)cc1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one?
The InChIKey is NRDNDGPFNFTZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-9(2,3)8(16)6-5-7(10(11,12)13)14-15(6)4/h5H,1-4H3.
What are the key properties of 2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one?
2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one has a molecular weight of 234.22 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one is sourced from PubChem (CID 59637063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).