1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone

C17H14F3N3O3 — CID 2880406

IUPAC1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1N=C(c2cccnc2)CC1(O)C(F)(F)F
InChIInChI=1S/C17H14F3N3O3/c18-17(19,20)16(25)9-14(12-5-4-8-21-10-12)22-23(16)15(24)11-26-13-6-2-1-3-7-13/h1-8,10,25H,9,11H2
InChIKeyKQINQHWHRCHIRQ-UHFFFAOYSA-N
MW365.31 g/mol
LogP2.35
Rot. Bonds4

About 1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone

1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone (PubChem CID 2880406) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone
PubChem CID2880406
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1N=C(c2cccnc2)CC1(O)C(F)(F)F
InChIInChI=1S/C17H14F3N3O3/c18-17(19,20)16(25)9-14(12-5-4-8-21-10-12)22-23(16)15(24)11-26-13-6-2-1-3-7-13/h1-8,10,25H,9,11H2
InChIKeyKQINQHWHRCHIRQ-UHFFFAOYSA-N
XLogP2.35
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone (CID 2880406) is 1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1N=C(c2cccnc2)CC1(O)C(F)(F)F.
What is the InChIKey of 1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone?
The InChIKey is KQINQHWHRCHIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c18-17(19,20)16(25)9-14(12-5-4-8-21-10-12)22-23(16)15(24)11-26-13-6-2-1-3-7-13/h1-8,10,25H,9,11H2.
What are the key properties of 1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone?
1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone has a molecular weight of 365.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 2880406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).