2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C23H15ClF7N3O — CID 118432119

IUPAC2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1=NN(c2ccccc2Cl)C(c2ccc(-c3ccc(F)nc3)cc2)C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H15ClF7N3O/c24-16-3-1-2-4-17(16)34-18(11-19(33-34)21(35,22(26,27)28)23(29,30)31)14-7-5-13(6-8-14)15-9-10-20(25)32-12-15/h1-10,12,18,35H,11H2
InChIKeyCPSMKDUHRBEHKX-UHFFFAOYSA-N
MW517.83 g/mol
LogP6.70
Rot. Bonds4

About 2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 118432119) has the molecular formula C23H15ClF7N3O and a molecular weight of 517.83 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID118432119
Molecular FormulaC23H15ClF7N3O
Molecular Weight517.83 g/mol
Exact Mass517.08
IUPAC Name2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1=NN(c2ccccc2Cl)C(c2ccc(-c3ccc(F)nc3)cc2)C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H15ClF7N3O/c24-16-3-1-2-4-17(16)34-18(11-19(33-34)21(35,22(26,27)28)23(29,30)31)14-7-5-13(6-8-14)15-9-10-20(25)32-12-15/h1-10,12,18,35H,11H2
InChIKeyCPSMKDUHRBEHKX-UHFFFAOYSA-N
XLogP6.70
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.83
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 118432119) is 2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1=NN(c2ccccc2Cl)C(c2ccc(-c3ccc(F)nc3)cc2)C1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is CPSMKDUHRBEHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF7N3O/c24-16-3-1-2-4-17(16)34-18(11-19(33-34)21(35,22(26,27)28)23(29,30)31)14-7-5-13(6-8-14)15-9-10-20(25)32-12-15/h1-10,12,18,35H,11H2.
What are the key properties of 2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 517.83 g/mol, XLogP of 6.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-3-[4-(6-fluoro-3-pyridinyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 118432119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).