[5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol

C22H19ClFN3O — CID 25189409

IUPAC[5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol
SMILESCN1NC(c2ccc(Cl)cc2)C(C(O)c2cccnc2)=C1c1cccc(F)c1
InChIInChI=1S/C22H19ClFN3O/c1-27-21(15-4-2-6-18(24)12-15)19(22(28)16-5-3-11-25-13-16)20(26-27)14-7-9-17(23)10-8-14/h2-13,20,22,26,28H,1H3
InChIKeyYAEYFBKGDSNZPS-UHFFFAOYSA-N
MW395.87 g/mol
LogP4.51
Rot. Bonds4

About [5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol

[5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 25189409) has the molecular formula C22H19ClFN3O and a molecular weight of 395.87 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol
PubChem CID25189409
Molecular FormulaC22H19ClFN3O
Molecular Weight395.87 g/mol
Exact Mass395.12
IUPAC Name[5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol
SMILESCN1NC(c2ccc(Cl)cc2)C(C(O)c2cccnc2)=C1c1cccc(F)c1
InChIInChI=1S/C22H19ClFN3O/c1-27-21(15-4-2-6-18(24)12-15)19(22(28)16-5-3-11-25-13-16)20(26-27)14-7-9-17(23)10-8-14/h2-13,20,22,26,28H,1H3
InChIKeyYAEYFBKGDSNZPS-UHFFFAOYSA-N
XLogP4.51
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol
CID 70883355
[3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol
CID 70883184
[5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883193
[5-(3,5-difluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol
CID 70883234
[4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463346
[3-(4-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883255
[3-(2,4-difluorophenyl)-5-(4-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883247
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
[4-(4-chloro-2-fluorophenyl)-1-methyl-2-(3-methylphenyl)pyrrol-3-yl]-pyridin-3-ylmethanol
CID 90836295
[5-tert-butyl-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883311
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
[3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol
CID 70883263

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol (CID 25189409) is [5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol is CN1NC(c2ccc(Cl)cc2)C(C(O)c2cccnc2)=C1c1cccc(F)c1.
What is the InChIKey of [5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is YAEYFBKGDSNZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O/c1-27-21(15-4-2-6-18(24)12-15)19(22(28)16-5-3-11-25-13-16)20(26-27)14-7-9-17(23)10-8-14/h2-13,20,22,26,28H,1H3.
What are the key properties of [5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol?
[5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 395.87 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methyl-1,5-dihydropyrazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 25189409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).