5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole

C11H9F3N2O — CID 50951512

IUPAC5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESCOc1ccc(-c2ccn[nH]2)cc1C(F)(F)F
InChIInChI=1S/C11H9F3N2O/c1-17-10-3-2-7(9-4-5-15-16-9)6-8(10)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyKUJFCKSXIFQPMD-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.10
Rot. Bonds2

About 5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole

5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole (PubChem CID 50951512) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole
PubChem CID50951512
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESCOc1ccc(-c2ccn[nH]2)cc1C(F)(F)F
InChIInChI=1S/C11H9F3N2O/c1-17-10-3-2-7(9-4-5-15-16-9)6-8(10)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyKUJFCKSXIFQPMD-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

Analyze 5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole (CID 50951512) is 5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole is COc1ccc(-c2ccn[nH]2)cc1C(F)(F)F.
What is the InChIKey of 5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole?
The InChIKey is KUJFCKSXIFQPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-17-10-3-2-7(9-4-5-15-16-9)6-8(10)11(12,13)14/h2-6H,1H3,(H,15,16).
What are the key properties of 5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole?
5-[4-methoxy-3-(trifluoromethyl)phenyl]-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 5-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 50951512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).