1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole

C24H16ClF3N2O — CID 141219583

IUPAC1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(COc2ccc3c(c2)Cc2ccccc2-3)n(-c2ccccc2Cl)n1
InChIInChI=1S/C24H16ClF3N2O/c25-21-7-3-4-8-22(21)30-17(13-23(29-30)24(26,27)28)14-31-18-9-10-20-16(12-18)11-15-5-1-2-6-19(15)20/h1-10,12-13H,11,14H2
InChIKeyWWQAPZUTFHPXMX-UHFFFAOYSA-N
MW440.85 g/mol
LogP6.69
Rot. Bonds4

About 1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole

1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 141219583) has the molecular formula C24H16ClF3N2O and a molecular weight of 440.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole
PubChem CID141219583
Molecular FormulaC24H16ClF3N2O
Molecular Weight440.85 g/mol
Exact Mass440.09
IUPAC Name1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(COc2ccc3c(c2)Cc2ccccc2-3)n(-c2ccccc2Cl)n1
InChIInChI=1S/C24H16ClF3N2O/c25-21-7-3-4-8-22(21)30-17(13-23(29-30)24(26,27)28)14-31-18-9-10-20-16(12-18)11-15-5-1-2-6-19(15)20/h1-10,12-13H,11,14H2
InChIKeyWWQAPZUTFHPXMX-UHFFFAOYSA-N
XLogP6.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.85
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole (CID 141219583) is 1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(COc2ccc3c(c2)Cc2ccccc2-3)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is WWQAPZUTFHPXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N2O/c25-21-7-3-4-8-22(21)30-17(13-23(29-30)24(26,27)28)14-31-18-9-10-20-16(12-18)11-15-5-1-2-6-19(15)20/h1-10,12-13H,11,14H2.
What are the key properties of 1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole?
1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 440.85 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 141219583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).