4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole

C8H11F3N2O — CID 176692641

IUPAC4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)Oc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H11F3N2O/c1-6(2)14-7-3-12-13(4-7)5-8(9,10)11/h3-4,6H,5H2,1-2H3
InChIKeyVVFAHDCPFIMRHK-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.23
Rot. Bonds3

About 4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole

4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 176692641) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID176692641
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)Oc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H11F3N2O/c1-6(2)14-7-3-12-13(4-7)5-8(9,10)11/h3-4,6H,5H2,1-2H3
InChIKeyVVFAHDCPFIMRHK-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 116794077
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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
1-Ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole
CID 102563823
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
1-Propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole
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4-(difluoromethoxy)-1-isopropyl-1H-pyrazole
CID 116805445

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole (CID 176692641) is 4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole is CC(C)Oc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is VVFAHDCPFIMRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-6(2)14-7-3-12-13(4-7)5-8(9,10)11/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole?
4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 208.18 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 176692641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).