1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one

C14H19F3N2O2 — CID 103214144

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESO=C(COCC(F)(F)F)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)10-21-9-13(20)8-11-6-7-19(18-11)12-4-2-1-3-5-12/h6-7,12H,1-5,8-10H2
InChIKeyBYBWLPFYASDXLL-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.08
Rot. Bonds6

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

1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (PubChem CID 103214144) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
PubChem CID103214144
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESO=C(COCC(F)(F)F)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)10-21-9-13(20)8-11-6-7-19(18-11)12-4-2-1-3-5-12/h6-7,12H,1-5,8-10H2
InChIKeyBYBWLPFYASDXLL-UHFFFAOYSA-N
XLogP3.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (CID 103214144) is 1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is O=C(COCC(F)(F)F)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The InChIKey is BYBWLPFYASDXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-14(16,17)10-21-9-13(20)8-11-6-7-19(18-11)12-4-2-1-3-5-12/h6-7,12H,1-5,8-10H2.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one has a molecular weight of 304.31 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is sourced from PubChem (CID 103214144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).