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

C15H11F3N4O2 — CID 3107167

IUPAC[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1N=C(C(F)(F)F)CC1(O)c1ccncc1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)12-8-14(24,11-3-6-19-7-4-11)22(21-12)13(23)10-2-1-5-20-9-10/h1-7,9,24H,8H2
InChIKeySWQCCPNPLICRIJ-UHFFFAOYSA-N
MW336.27 g/mol
LogP2.09
Rot. Bonds2

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

[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone (PubChem CID 3107167) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone
PubChem CID3107167
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1N=C(C(F)(F)F)CC1(O)c1ccncc1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)12-8-14(24,11-3-6-19-7-4-11)22(21-12)13(23)10-2-1-5-20-9-10/h1-7,9,24H,8H2
InChIKeySWQCCPNPLICRIJ-UHFFFAOYSA-N
XLogP2.09
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone (CID 3107167) is [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1N=C(C(F)(F)F)CC1(O)c1ccncc1.
What is the InChIKey of [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone?
The InChIKey is SWQCCPNPLICRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c16-15(17,18)12-8-14(24,11-3-6-19-7-4-11)22(21-12)13(23)10-2-1-5-20-9-10/h1-7,9,24H,8H2.
What are the key properties of [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone?
[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone has a molecular weight of 336.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 3107167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).