1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole

C8H11F3N2O — CID 116805248

IUPAC1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole
SMILESCC(C)n1cc(OCC(F)(F)F)cn1
InChIInChI=1S/C8H11F3N2O/c1-6(2)13-4-7(3-12-13)14-5-8(9,10)11/h3-4,6H,5H2,1-2H3
InChIKeyLTWIHZHSXMJXLO-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.41
Rot. Bonds3

About 1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole

1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole (PubChem CID 116805248) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole.

Molecular Properties

Compound Name1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole
PubChem CID116805248
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole
SMILESCC(C)n1cc(OCC(F)(F)F)cn1
InChIInChI=1S/C8H11F3N2O/c1-6(2)13-4-7(3-12-13)14-5-8(9,10)11/h3-4,6H,5H2,1-2H3
InChIKeyLTWIHZHSXMJXLO-UHFFFAOYSA-N
XLogP2.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-(prop-2-yn-1-yloxy)-1H-pyrazole
CID 116794077
2-[4-(2,2-difluoroethoxy)-1H-pyrazol-1-yl]acetic acid
CID 138986049
4-Methoxy-1-methyl-1H-pyrazole
CID 12695060
1-[2-(1-Ethylpyrazol-4-yl)oxyethyl]piperidine
CID 99785968
2-(1-ethylpyrazol-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 99839180
4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole
CID 164631095
4-(Difluoromethoxy)-1-ethylpyrazole
CID 57039471
1-Methyl-4-(trifluoromethoxy)pyrazole
CID 89753546
4-(Difluoromethoxy)-1-methylpyrazole
CID 91217050
4-(difluoromethoxy)-1-isopropyl-1H-pyrazole
CID 116805445
3,3-Difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine
CID 129277945
4-Methyl-1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrazole
CID 131995053

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole?
The IUPAC name of 1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole (CID 116805248) is 1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole.
What is the SMILES notation for 1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole?
The canonical SMILES for 1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole is CC(C)n1cc(OCC(F)(F)F)cn1.
What is the InChIKey of 1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole?
The InChIKey is LTWIHZHSXMJXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-6(2)13-4-7(3-12-13)14-5-8(9,10)11/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole?
1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole has a molecular weight of 208.18 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole is sourced from PubChem (CID 116805248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).