(2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone

C17H12F3N3O3 — CID 3514521

IUPAC(2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
SMILESCOc1ccc(O)c(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2)c1
InChIInChI=1S/C17H12F3N3O3/c1-26-12-3-4-14(24)13(6-12)16(25)10-7-22-23(9-10)15-5-2-11(8-21-15)17(18,19)20/h2-9,24H,1H3
InChIKeyGQMASVWXMFTUBW-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.23
Rot. Bonds4

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

(2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone (PubChem CID 3514521) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is (2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
PubChem CID3514521
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Name(2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
SMILESCOc1ccc(O)c(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2)c1
InChIInChI=1S/C17H12F3N3O3/c1-26-12-3-4-14(24)13(6-12)16(25)10-7-22-23(9-10)15-5-2-11(8-21-15)17(18,19)20/h2-9,24H,1H3
InChIKeyGQMASVWXMFTUBW-UHFFFAOYSA-N
XLogP3.23
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone?
The IUPAC name of (2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone (CID 3514521) is (2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone.
What is the SMILES notation for (2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone?
The canonical SMILES for (2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone is COc1ccc(O)c(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2)c1.
What is the InChIKey of (2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone?
The InChIKey is GQMASVWXMFTUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c1-26-12-3-4-14(24)13(6-12)16(25)10-7-22-23(9-10)15-5-2-11(8-21-15)17(18,19)20/h2-9,24H,1H3.
What are the key properties of (2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone?
(2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone has a molecular weight of 363.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxyphenyl)-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone is sourced from PubChem (CID 3514521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).