2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C24H16ClF7N2O — CID 118431637

IUPAC2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1=NN(c2ccccc2Cl)C(c2ccc(-c3ccc(F)cc3)cc2)C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H16ClF7N2O/c25-18-3-1-2-4-19(18)34-20(13-21(33-34)22(35,23(27,28)29)24(30,31)32)16-7-5-14(6-8-16)15-9-11-17(26)12-10-15/h1-12,20,35H,13H2
InChIKeyXIXGRGKJUFSLHP-UHFFFAOYSA-N
MW516.84 g/mol
LogP7.31
Rot. Bonds4

About 2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 118431637) has the molecular formula C24H16ClF7N2O and a molecular weight of 516.84 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID118431637
Molecular FormulaC24H16ClF7N2O
Molecular Weight516.84 g/mol
Exact Mass516.08
IUPAC Name2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1=NN(c2ccccc2Cl)C(c2ccc(-c3ccc(F)cc3)cc2)C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H16ClF7N2O/c25-18-3-1-2-4-19(18)34-20(13-21(33-34)22(35,23(27,28)29)24(30,31)32)16-7-5-14(6-8-16)15-9-11-17(26)12-10-15/h1-12,20,35H,13H2
InChIKeyXIXGRGKJUFSLHP-UHFFFAOYSA-N
XLogP7.31
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.84
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 118431637) is 2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1=NN(c2ccccc2Cl)C(c2ccc(-c3ccc(F)cc3)cc2)C1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is XIXGRGKJUFSLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF7N2O/c25-18-3-1-2-4-19(18)34-20(13-21(33-34)22(35,23(27,28)29)24(30,31)32)16-7-5-14(6-8-16)15-9-11-17(26)12-10-15/h1-12,20,35H,13H2.
What are the key properties of 2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 516.84 g/mol, XLogP of 7.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-3-[4-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 118431637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).