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

C27H23ClF6N2O — CID 142733722

IUPAC2-[2-(2-chlorophenyl)-3-[4-(2-propan-2-ylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)c1ccccc1-c1ccc(C2CC(C(O)(C(F)(F)F)C(F)(F)F)=NN2c2ccccc2Cl)cc1
InChIInChI=1S/C27H23ClF6N2O/c1-16(2)19-7-3-4-8-20(19)17-11-13-18(14-12-17)23-15-24(25(37,26(29,30)31)27(32,33)34)35-36(23)22-10-6-5-9-21(22)28/h3-14,16,23,37H,15H2,1-2H3
InChIKeyYOPYKJOWTQVIHE-UHFFFAOYSA-N
MW540.94 g/mol
LogP8.29
Rot. Bonds5

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

2-[2-(2-chlorophenyl)-3-[4-(2-propan-2-ylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 142733722) has the molecular formula C27H23ClF6N2O and a molecular weight of 540.94 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-3-[4-(2-propan-2-ylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-3-[4-(2-propan-2-ylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID142733722
Molecular FormulaC27H23ClF6N2O
Molecular Weight540.94 g/mol
Exact Mass540.14
IUPAC Name2-[2-(2-chlorophenyl)-3-[4-(2-propan-2-ylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)c1ccccc1-c1ccc(C2CC(C(O)(C(F)(F)F)C(F)(F)F)=NN2c2ccccc2Cl)cc1
InChIInChI=1S/C27H23ClF6N2O/c1-16(2)19-7-3-4-8-20(19)17-11-13-18(14-12-17)23-15-24(25(37,26(29,30)31)27(32,33)34)35-36(23)22-10-6-5-9-21(22)28/h3-14,16,23,37H,15H2,1-2H3
InChIKeyYOPYKJOWTQVIHE-UHFFFAOYSA-N
XLogP8.29
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.94
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(4-tert-butylphenyl)phenyl]-2-(2-chlorophenyl)-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 142733661
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
2-[3-[4-(2-amino-3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118431750
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
2-[2-(2-chlorophenyl)-3-[4-(2-methoxypyrimidin-5-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118432093
2-[2-(2-chlorophenyl)-3-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118432077
4-[4-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethylbenzenesulfonamide
CID 142733664
4-[4-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethylpiperazine-1-carboxamide
CID 118431734
2-(2-chlorophenyl)-3-[4-(2-methylsulfinylphenyl)phenyl]-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole
CID 142733545
2-[2-(2-chlorophenyl)-3-[4-(3-ethoxyphenyl)-2-fluorophenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118431950
2-[2-(2-chlorophenyl)-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazol-3-yl]-5-(2-methylsulfanylphenyl)pyridine
CID 142733576
2-[2-(2-chlorophenyl)-3-[5-(1,2,3,6-tetrahydropyridin-4-yl)thiophen-2-yl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118431634

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-3-[4-(2-propan-2-ylphenyl)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-(2-propan-2-ylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 142733722) is 2-[2-(2-chlorophenyl)-3-[4-(2-propan-2-ylphenyl)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-(2-propan-2-ylphenyl)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-(2-propan-2-ylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CC(C)c1ccccc1-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-(2-propan-2-ylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is YOPYKJOWTQVIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF6N2O/c1-16(2)19-7-3-4-8-20(19)17-11-13-18(14-12-17)23-15-24(25(37,26(29,30)31)27(32,33)34)35-36(23)22-10-6-5-9-21(22)28/h3-14,16,23,37H,15H2,1-2H3.
What are the key properties of 2-[2-(2-chlorophenyl)-3-[4-(2-propan-2-ylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[2-(2-chlorophenyl)-3-[4-(2-propan-2-ylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 540.94 g/mol, XLogP of 8.29, 5 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-(2-propan-2-ylphenyl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 142733722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).