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

C25H18ClF7N2O — CID 142733651

IUPAC2-[2-(2-chlorophenyl)-3-[4-(4-fluoro-2-methylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(F)ccc1-c1ccc(C2CC(C(O)(C(F)(F)F)C(F)(F)F)=NN2c2ccccc2Cl)cc1
InChIInChI=1S/C25H18ClF7N2O/c1-14-12-17(27)10-11-18(14)15-6-8-16(9-7-15)21-13-22(23(36,24(28,29)30)25(31,32)33)34-35(21)20-5-3-2-4-19(20)26/h2-12,21,36H,13H2,1H3
InChIKeyUQNAEFQBPOTAJJ-UHFFFAOYSA-N
MW530.87 g/mol
LogP7.62
Rot. Bonds4

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

2-[2-(2-chlorophenyl)-3-[4-(4-fluoro-2-methylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 142733651) has the molecular formula C25H18ClF7N2O and a molecular weight of 530.87 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-3-[4-(4-fluoro-2-methylphenyl)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-fluoro-2-methylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID142733651
Molecular FormulaC25H18ClF7N2O
Molecular Weight530.87 g/mol
Exact Mass530.10
IUPAC Name2-[2-(2-chlorophenyl)-3-[4-(4-fluoro-2-methylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(F)ccc1-c1ccc(C2CC(C(O)(C(F)(F)F)C(F)(F)F)=NN2c2ccccc2Cl)cc1
InChIInChI=1S/C25H18ClF7N2O/c1-14-12-17(27)10-11-18(14)15-6-8-16(9-7-15)21-13-22(23(36,24(28,29)30)25(31,32)33)34-35(21)20-5-3-2-4-19(20)26/h2-12,21,36H,13H2,1H3
InChIKeyUQNAEFQBPOTAJJ-UHFFFAOYSA-N
XLogP7.62
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.87
LogP ≤ 57.62
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-fluoro-2-methylphenyl)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-fluoro-2-methylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 142733651) is 2-[2-(2-chlorophenyl)-3-[4-(4-fluoro-2-methylphenyl)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-fluoro-2-methylphenyl)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-fluoro-2-methylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1cc(F)ccc1-c1ccc(C2CC(C(O)(C(F)(F)F)C(F)(F)F)=NN2c2ccccc2Cl)cc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-3-[4-(4-fluoro-2-methylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is UQNAEFQBPOTAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF7N2O/c1-14-12-17(27)10-11-18(14)15-6-8-16(9-7-15)21-13-22(23(36,24(28,29)30)25(31,32)33)34-35(21)20-5-3-2-4-19(20)26/h2-12,21,36H,13H2,1H3.
What are the key properties of 2-[2-(2-chlorophenyl)-3-[4-(4-fluoro-2-methylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[2-(2-chlorophenyl)-3-[4-(4-fluoro-2-methylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 530.87 g/mol, XLogP of 7.62, 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-fluoro-2-methylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 142733651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).