4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C10H6ClF3N2O — CID 690714

IUPAC4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H6ClF3N2O/c11-5-1-2-8(17)6(3-5)7-4-9(16-15-7)10(12,13)14/h1-4,17H,(H,15,16)
InChIKeyALGDMHBOHZVKRO-UHFFFAOYSA-N
MW262.62 g/mol
LogP3.45
Rot. Bonds1

About 4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 690714) has the molecular formula C10H6ClF3N2O and a molecular weight of 262.62 g/mol. Its IUPAC name is 4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID690714
Molecular FormulaC10H6ClF3N2O
Molecular Weight262.62 g/mol
Exact Mass262.01
IUPAC Name4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H6ClF3N2O/c11-5-1-2-8(17)6(3-5)7-4-9(16-15-7)10(12,13)14/h1-4,17H,(H,15,16)
InChIKeyALGDMHBOHZVKRO-UHFFFAOYSA-N
XLogP3.45
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol 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-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 690714) is 4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Oc1ccc(Cl)cc1-c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is ALGDMHBOHZVKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O/c11-5-1-2-8(17)6(3-5)7-4-9(16-15-7)10(12,13)14/h1-4,17H,(H,15,16).
What are the key properties of 4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 262.62 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 690714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).