5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole

C8H11F3N2O — CID 122170872

IUPAC5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole
SMILESCOCc1ccnn1CCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-14-6-7-2-4-12-13(7)5-3-8(9,10)11/h2,4H,3,5-6H2,1H3
InChIKeyBRUCGAUTPRXSOS-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.98
Rot. Bonds4

About 5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole

5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole (PubChem CID 122170872) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole
PubChem CID122170872
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole
SMILESCOCc1ccnn1CCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-14-6-7-2-4-12-13(7)5-3-8(9,10)11/h2,4H,3,5-6H2,1H3
InChIKeyBRUCGAUTPRXSOS-UHFFFAOYSA-N
XLogP1.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole?
The IUPAC name of 5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole (CID 122170872) is 5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole.
What is the SMILES notation for 5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole?
The canonical SMILES for 5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole is COCc1ccnn1CCC(F)(F)F.
What is the InChIKey of 5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole?
The InChIKey is BRUCGAUTPRXSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-14-6-7-2-4-12-13(7)5-3-8(9,10)11/h2,4H,3,5-6H2,1H3.
What are the key properties of 5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole?
5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole has a molecular weight of 208.18 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole is sourced from PubChem (CID 122170872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).