2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C22H14F6N4O — CID 87457278

IUPAC2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(-n2nc(-c3ccccn3)cc2-c2ccccn2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H14F6N4O/c23-21(24,25)20(33,22(26,27)28)14-7-9-15(10-8-14)32-19(17-6-2-4-12-30-17)13-18(31-32)16-5-1-3-11-29-16/h1-13,33H
InChIKeyGKVWSMVRCQKIBF-UHFFFAOYSA-N
MW464.37 g/mol
LogP5.31
Rot. Bonds4

About 2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 87457278) has the molecular formula C22H14F6N4O and a molecular weight of 464.37 g/mol. Its IUPAC name is 2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID87457278
Molecular FormulaC22H14F6N4O
Molecular Weight464.37 g/mol
Exact Mass464.11
IUPAC Name2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(-n2nc(-c3ccccn3)cc2-c2ccccn2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H14F6N4O/c23-21(24,25)20(33,22(26,27)28)14-7-9-15(10-8-14)32-19(17-6-2-4-12-30-17)13-18(31-32)16-5-1-3-11-29-16/h1-13,33H
InChIKeyGKVWSMVRCQKIBF-UHFFFAOYSA-N
XLogP5.31
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 90252850
CID 90252851
CID 90252851
CID 90252852
CID 90252852
CID 90252864
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CID 90252957
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CID 118496546
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CID 46888465
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CID 46888468

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 87457278) is 2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1ccc(-n2nc(-c3ccccn3)cc2-c2ccccn2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is GKVWSMVRCQKIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N4O/c23-21(24,25)20(33,22(26,27)28)14-7-9-15(10-8-14)32-19(17-6-2-4-12-30-17)13-18(31-32)16-5-1-3-11-29-16/h1-13,33H.
What are the key properties of 2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 464.37 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 87457278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).