5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole

C12H11F3N2O — CID 91092143

IUPAC5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole
SMILESCOCc1ccnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c1-18-8-9-6-7-16-17(9)11-5-3-2-4-10(11)12(13,14)15/h2-7H,8H2,1H3
InChIKeyQCRSRYXTMOXREM-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.04
Rot. Bonds3

About 5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole

5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole (PubChem CID 91092143) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole
PubChem CID91092143
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole
SMILESCOCc1ccnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c1-18-8-9-6-7-16-17(9)11-5-3-2-4-10(11)12(13,14)15/h2-7H,8H2,1H3
InChIKeyQCRSRYXTMOXREM-UHFFFAOYSA-N
XLogP3.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole (CID 91092143) is 5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole is COCc1ccnn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is QCRSRYXTMOXREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-18-8-9-6-7-16-17(9)11-5-3-2-4-10(11)12(13,14)15/h2-7H,8H2,1H3.
What are the key properties of 5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole?
5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 256.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 91092143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).