1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole

C10H15F3N2O — CID 118148381

IUPAC1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole
SMILESCCOC(n1cc(C(C)C)cn1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-4-16-9(10(11,12)13)15-6-8(5-14-15)7(2)3/h5-7,9H,4H2,1-3H3
InChIKeyWSZRUXVJVKMGCV-UHFFFAOYSA-N
MW236.24 g/mol
LogP3.10
Rot. Bonds4

About 1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole

1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole (PubChem CID 118148381) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole
PubChem CID118148381
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole
SMILESCCOC(n1cc(C(C)C)cn1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-4-16-9(10(11,12)13)15-6-8(5-14-15)7(2)3/h5-7,9H,4H2,1-3H3
InChIKeyWSZRUXVJVKMGCV-UHFFFAOYSA-N
XLogP3.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(Z)-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethylidene]amino]methanamine
CID 178346340
CID 58450270
CID 58450270
1-(Methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole
CID 59146360
1-[(2,2-Difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole
CID 59186486
1-(2,2-Difluoroethyl)-4-propan-2-ylpyrazole
CID 59333381
4-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 59623701
1-(2-Fluoropropyl)-4-propan-2-ylpyrazole
CID 68044694
1-(2-Fluoroprop-2-enyl)-4-propan-2-ylpyrazole
CID 68044696
4-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 68044697
1-[(Z)-2-fluoroprop-1-enyl]-4-propan-2-ylpyrazole
CID 68044698
2,2-Difluoro-2-(4-propan-2-ylpyrazol-1-yl)acetonitrile
CID 68044706
1,1-Difluoro-1-(4-propan-2-ylpyrazol-1-yl)propan-2-one
CID 68044716

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole?
The IUPAC name of 1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole (CID 118148381) is 1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole?
The canonical SMILES for 1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole is CCOC(n1cc(C(C)C)cn1)C(F)(F)F.
What is the InChIKey of 1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole?
The InChIKey is WSZRUXVJVKMGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-4-16-9(10(11,12)13)15-6-8(5-14-15)7(2)3/h5-7,9H,4H2,1-3H3.
What are the key properties of 1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole?
1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole has a molecular weight of 236.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole is sourced from PubChem (CID 118148381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).