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

C17H14F3N3O3 — CID 3340104

IUPAC[5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2N=C(c3ccccn3)CC2(O)C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O3/c1-26-12-6-4-5-11(9-12)15(24)23-16(25,17(18,19)20)10-14(22-23)13-7-2-3-8-21-13/h2-9,25H,10H2,1H3
InChIKeyVZYUXTBFDKBXIW-UHFFFAOYSA-N
MW365.31 g/mol
LogP2.59
Rot. Bonds3

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

[5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 3340104) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is [5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone
PubChem CID3340104
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name[5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2N=C(c3ccccn3)CC2(O)C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O3/c1-26-12-6-4-5-11(9-12)15(24)23-16(25,17(18,19)20)10-14(22-23)13-7-2-3-8-21-13/h2-9,25H,10H2,1H3
InChIKeyVZYUXTBFDKBXIW-UHFFFAOYSA-N
XLogP2.59
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone (CID 3340104) is [5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2N=C(c3ccccn3)CC2(O)C(F)(F)F)c1.
What is the InChIKey of [5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is VZYUXTBFDKBXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-26-12-6-4-5-11(9-12)15(24)23-16(25,17(18,19)20)10-14(22-23)13-7-2-3-8-21-13/h2-9,25H,10H2,1H3.
What are the key properties of [5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone?
[5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 365.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 3340104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).