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

C17H14F3N3O3 — CID 3147083

IUPAC[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccncc3)C(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H14F3N3O3/c1-26-13-4-2-11(3-5-13)14-10-16(25,17(18,19)20)23(22-14)15(24)12-6-8-21-9-7-12/h2-9,25H,10H2,1H3
InChIKeyCPDMQPSDUXXGJG-UHFFFAOYSA-N
MW365.31 g/mol
LogP2.59
Rot. Bonds3

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

[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone (PubChem CID 3147083) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is [5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
PubChem CID3147083
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccncc3)C(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H14F3N3O3/c1-26-13-4-2-11(3-5-13)14-10-16(25,17(18,19)20)23(22-14)15(24)12-6-8-21-9-7-12/h2-9,25H,10H2,1H3
InChIKeyCPDMQPSDUXXGJG-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-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone (CID 3147083) is [5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone is COc1ccc(C2=NN(C(=O)c3ccncc3)C(O)(C(F)(F)F)C2)cc1.
What is the InChIKey of [5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The InChIKey is CPDMQPSDUXXGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-26-13-4-2-11(3-5-13)14-10-16(25,17(18,19)20)23(22-14)15(24)12-6-8-21-9-7-12/h2-9,25H,10H2,1H3.
What are the key properties of [5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone 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-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 3147083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).