2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone

C22H17F3N4O2 — CID 161311055

IUPAC2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone
SMILESCc1ccc(-c2ccn[nH]2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(C(=O)CO)cc1
InChIInChI=1S/C22H17F3N4O2/c1-13-2-3-15(18-8-9-26-27-18)10-17(13)19-11-21(22(23,24)25)28-29(19)16-6-4-14(5-7-16)20(31)12-30/h2-11,30H,12H2,1H3,(H,26,27)
InChIKeyVIWVXYOQENNZFZ-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.43
Rot. Bonds5

About 2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone

2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone (PubChem CID 161311055) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone
PubChem CID161311055
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone
SMILESCc1ccc(-c2ccn[nH]2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(C(=O)CO)cc1
InChIInChI=1S/C22H17F3N4O2/c1-13-2-3-15(18-8-9-26-27-18)10-17(13)19-11-21(22(23,24)25)28-29(19)16-6-4-14(5-7-16)20(31)12-30/h2-11,30H,12H2,1H3,(H,26,27)
InChIKeyVIWVXYOQENNZFZ-UHFFFAOYSA-N
XLogP4.43
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone (CID 161311055) is 2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone is Cc1ccc(-c2ccn[nH]2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(C(=O)CO)cc1.
What is the InChIKey of 2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone?
The InChIKey is VIWVXYOQENNZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-13-2-3-15(18-8-9-26-27-18)10-17(13)19-11-21(22(23,24)25)28-29(19)16-6-4-14(5-7-16)20(31)12-30/h2-11,30H,12H2,1H3,(H,26,27).
What are the key properties of 2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone?
2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone has a molecular weight of 426.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[5-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone is sourced from PubChem (CID 161311055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).