4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole

C10H6ClF3N2 — CID 135084268

IUPAC4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1-c1ccccc1Cl
InChIInChI=1S/C10H6ClF3N2/c11-8-4-2-1-3-6(8)7-5-15-16-9(7)10(12,13)14/h1-5H,(H,15,16)
InChIKeyDYJUISCSWJZHJC-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.75
Rot. Bonds1

About 4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole

4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 135084268) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID135084268
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1-c1ccccc1Cl
InChIInChI=1S/C10H6ClF3N2/c11-8-4-2-1-3-6(8)7-5-15-16-9(7)10(12,13)14/h1-5H,(H,15,16)
InChIKeyDYJUISCSWJZHJC-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-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 135084268) is 4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]ncc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is DYJUISCSWJZHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-8-4-2-1-3-6(8)7-5-15-16-9(7)10(12,13)14/h1-5H,(H,15,16).
What are the key properties of 4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(2-chlorophenyl)-5-(trifluoromethyl)-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-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 135084268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).