2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C26H26ClF6N3O3S — CID 118431706

IUPAC2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCCS(=O)(=O)N1CC=C(c2ccc(C3CC(C(O)(C(F)(F)F)C(F)(F)F)=NN3c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C26H26ClF6N3O3S/c1-2-15-40(38,39)35-13-11-18(12-14-35)17-7-9-19(10-8-17)22-16-23(24(37,25(28,29)30)26(31,32)33)34-36(22)21-6-4-3-5-20(21)27/h3-11,22,37H,2,12-16H2,1H3
InChIKeyGGZWAOOIOGCFRE-UHFFFAOYSA-N
MW610.02 g/mol
LogP6.33
Rot. Bonds7

About 2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 118431706) has the molecular formula C26H26ClF6N3O3S and a molecular weight of 610.02 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID118431706
Molecular FormulaC26H26ClF6N3O3S
Molecular Weight610.02 g/mol
Exact Mass609.13
IUPAC Name2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCCS(=O)(=O)N1CC=C(c2ccc(C3CC(C(O)(C(F)(F)F)C(F)(F)F)=NN3c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C26H26ClF6N3O3S/c1-2-15-40(38,39)35-13-11-18(12-14-35)17-7-9-19(10-8-17)22-16-23(24(37,25(28,29)30)26(31,32)33)34-36(22)21-6-4-3-5-20(21)27/h3-11,22,37H,2,12-16H2,1H3
InChIKeyGGZWAOOIOGCFRE-UHFFFAOYSA-N
XLogP6.33
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.02
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)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-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 118431706) is 2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)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-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)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-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCCS(=O)(=O)N1CC=C(c2ccc(C3CC(C(O)(C(F)(F)F)C(F)(F)F)=NN3c3ccccc3Cl)cc2)CC1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is GGZWAOOIOGCFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF6N3O3S/c1-2-15-40(38,39)35-13-11-18(12-14-35)17-7-9-19(10-8-17)22-16-23(24(37,25(28,29)30)26(31,32)33)34-36(22)21-6-4-3-5-20(21)27/h3-11,22,37H,2,12-16H2,1H3.
What are the key properties of 2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 610.02 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-3-[4-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 118431706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).