3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole

C11H9F3N2O — CID 22352557

IUPAC3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1cccc(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyZYXHXNGIOSVJRA-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.10
Rot. Bonds2

About 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole

3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 22352557) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID22352557
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1cccc(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyZYXHXNGIOSVJRA-UHFFFAOYSA-N
XLogP3.10
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 22352557) is 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is COc1cccc(-c2cc(C(F)(F)F)[nH]n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ZYXHXNGIOSVJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16).
What are the key properties of 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 242.20 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 22352557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).