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

C24H19ClF6N4O3 — CID 118432077

IUPAC2-[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
SMILESCOc1ncc(-c2ccc(C3CC(C(O)(C(F)(F)F)C(F)(F)F)=NN3c3ccccc3Cl)cc2)c(OC)n1
InChIInChI=1S/C24H19ClF6N4O3/c1-37-20-15(12-32-21(33-20)38-2)13-7-9-14(10-8-13)18-11-19(22(36,23(26,27)28)24(29,30)31)34-35(18)17-6-4-3-5-16(17)25/h3-10,12,18,36H,11H2,1-2H3
InChIKeyFITQEBZWSFPNRK-UHFFFAOYSA-N
MW560.88 g/mol
LogP5.98
Rot. Bonds6

About 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

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 (PubChem CID 118432077) has the molecular formula C24H19ClF6N4O3 and a molecular weight of 560.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID118432077
Molecular FormulaC24H19ClF6N4O3
Molecular Weight560.88 g/mol
Exact Mass560.10
IUPAC Name2-[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
SMILESCOc1ncc(-c2ccc(C3CC(C(O)(C(F)(F)F)C(F)(F)F)=NN3c3ccccc3Cl)cc2)c(OC)n1
InChIInChI=1S/C24H19ClF6N4O3/c1-37-20-15(12-32-21(33-20)38-2)13-7-9-14(10-8-13)18-11-19(22(36,23(26,27)28)24(29,30)31)34-35(18)17-6-4-3-5-16(17)25/h3-10,12,18,36H,11H2,1-2H3
InChIKeyFITQEBZWSFPNRK-UHFFFAOYSA-N
XLogP5.98
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.88
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncc(-c2ccc(C3CC(C(O)(C(F)(F)F)C(F)(F)F)=NN3c3ccccc3Cl)cc2)c(OC)n1.
What is the InChIKey of 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?
The InChIKey is FITQEBZWSFPNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF6N4O3/c1-37-20-15(12-32-21(33-20)38-2)13-7-9-14(10-8-13)18-11-19(22(36,23(26,27)28)24(29,30)31)34-35(18)17-6-4-3-5-16(17)25/h3-10,12,18,36H,11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 560.88 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118432077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).