4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C10H15F3N2O — CID 90162161

IUPAC4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCOCc1cn(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-4-16-6-8-5-15(7(2)3)14-9(8)10(11,12)13/h5,7H,4,6H2,1-3H3
InChIKeyWJSYLAFVMQPAEC-UHFFFAOYSA-N
MW236.24 g/mol
LogP3.02
Rot. Bonds4

About 4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole

4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 90162161) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID90162161
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCOCc1cn(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-4-16-6-8-5-15(7(2)3)14-9(8)10(11,12)13/h5,7H,4,6H2,1-3H3
InChIKeyWJSYLAFVMQPAEC-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 90162161) is 4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CCOCc1cn(C(C)C)nc1C(F)(F)F.
What is the InChIKey of 4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is WJSYLAFVMQPAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-4-16-6-8-5-15(7(2)3)14-9(8)10(11,12)13/h5,7H,4,6H2,1-3H3.
What are the key properties of 4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 236.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90162161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).