4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

C10H6ClF3N2O — CID 61394913

IUPAC4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)(F)Oc1ccc(-c2[nH]ncc2Cl)cc1
InChIInChI=1S/C10H6ClF3N2O/c11-8-5-15-16-9(8)6-1-3-7(4-2-6)17-10(12,13)14/h1-5H,(H,15,16)
InChIKeyXNMSPIQCWXYFAA-UHFFFAOYSA-N
MW262.62 g/mol
LogP3.63
Rot. Bonds2

About 4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole (PubChem CID 61394913) has the molecular formula C10H6ClF3N2O and a molecular weight of 262.62 g/mol. Its IUPAC name is 4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
PubChem CID61394913
Molecular FormulaC10H6ClF3N2O
Molecular Weight262.62 g/mol
Exact Mass262.01
IUPAC Name4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)(F)Oc1ccc(-c2[nH]ncc2Cl)cc1
InChIInChI=1S/C10H6ClF3N2O/c11-8-5-15-16-9(8)6-1-3-7(4-2-6)17-10(12,13)14/h1-5H,(H,15,16)
InChIKeyXNMSPIQCWXYFAA-UHFFFAOYSA-N
XLogP3.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5-[4-(trifluoromethoxy)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 4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
The IUPAC name of 4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole (CID 61394913) is 4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole is FC(F)(F)Oc1ccc(-c2[nH]ncc2Cl)cc1.
What is the InChIKey of 4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
The InChIKey is XNMSPIQCWXYFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O/c11-8-5-15-16-9(8)6-1-3-7(4-2-6)17-10(12,13)14/h1-5H,(H,15,16).
What are the key properties of 4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole has a molecular weight of 262.62 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 61394913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).