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

C10H6ClF3N2 — CID 130466741

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2cn[nH]c2)ccc1Cl
InChIInChI=1S/C10H6ClF3N2/c11-9-2-1-6(7-4-15-16-5-7)3-8(9)10(12,13)14/h1-5H,(H,15,16)
InChIKeyQYBPRDWJRNMOGD-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.75
Rot. Bonds1

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

4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole (PubChem CID 130466741) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole
PubChem CID130466741
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2cn[nH]c2)ccc1Cl
InChIInChI=1S/C10H6ClF3N2/c11-9-2-1-6(7-4-15-16-5-7)3-8(9)10(12,13)14/h1-5H,(H,15,16)
InChIKeyQYBPRDWJRNMOGD-UHFFFAOYSA-N
XLogP3.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole (CID 130466741) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole is FC(F)(F)c1cc(-c2cn[nH]c2)ccc1Cl.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole?
The InChIKey is QYBPRDWJRNMOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-9-2-1-6(7-4-15-16-5-7)3-8(9)10(12,13)14/h1-5H,(H,15,16).
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole?
4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole has a molecular weight of 246.62 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 130466741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).