3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole

C11H8ClF3N2 — CID 22906426

IUPAC3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCc1c(-c2ccc(Cl)cc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2/c1-6-9(7-2-4-8(12)5-3-7)16-17-10(6)11(13,14)15/h2-5H,1H3,(H,16,17)
InChIKeyHQWNZBWPMHKKCW-UHFFFAOYSA-N
MW260.65 g/mol
LogP4.06
Rot. Bonds1

About 3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole

3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 22906426) has the molecular formula C11H8ClF3N2 and a molecular weight of 260.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID22906426
Molecular FormulaC11H8ClF3N2
Molecular Weight260.65 g/mol
Exact Mass260.03
IUPAC Name3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCc1c(-c2ccc(Cl)cc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2/c1-6-9(7-2-4-8(12)5-3-7)16-17-10(6)11(13,14)15/h2-5H,1H3,(H,16,17)
InChIKeyHQWNZBWPMHKKCW-UHFFFAOYSA-N
XLogP4.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole (CID 22906426) is 3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole is Cc1c(-c2ccc(Cl)cc2)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is HQWNZBWPMHKKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2/c1-6-9(7-2-4-8(12)5-3-7)16-17-10(6)11(13,14)15/h2-5H,1H3,(H,16,17).
What are the key properties of 3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole?
3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 260.65 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 22906426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).