3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one

C14H19F3N2O — CID 103024362

IUPAC3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one
SMILESCn1nccc1CCC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H19F3N2O/c1-19-12(7-8-18-19)5-6-13(20)10-3-2-4-11(9-10)14(15,16)17/h7-8,10-11H,2-6,9H2,1H3
InChIKeyMJIXTSQMEVQSKW-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.29
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one

3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one (PubChem CID 103024362) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one
PubChem CID103024362
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one
SMILESCn1nccc1CCC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H19F3N2O/c1-19-12(7-8-18-19)5-6-13(20)10-3-2-4-11(9-10)14(15,16)17/h7-8,10-11H,2-6,9H2,1H3
InChIKeyMJIXTSQMEVQSKW-UHFFFAOYSA-N
XLogP3.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one (CID 103024362) is 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one is Cn1nccc1CCC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one?
The InChIKey is MJIXTSQMEVQSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-19-12(7-8-18-19)5-6-13(20)10-3-2-4-11(9-10)14(15,16)17/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one?
3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one has a molecular weight of 288.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one is sourced from PubChem (CID 103024362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).