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

C10H8F3N3O2 — CID 4135977

IUPAC[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1N=CCC1(O)C(F)(F)F
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)9(18)3-6-15-16(9)8(17)7-1-4-14-5-2-7/h1-2,4-6,18H,3H2
InChIKeyBCUWAFAEPXMONW-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.16
Rot. Bonds1

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

[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone (PubChem CID 4135977) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
PubChem CID4135977
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1N=CCC1(O)C(F)(F)F
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)9(18)3-6-15-16(9)8(17)7-1-4-14-5-2-7/h1-2,4-6,18H,3H2
InChIKeyBCUWAFAEPXMONW-UHFFFAOYSA-N
XLogP1.16
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone (CID 4135977) is [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1N=CCC1(O)C(F)(F)F.
What is the InChIKey of [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The InChIKey is BCUWAFAEPXMONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)9(18)3-6-15-16(9)8(17)7-1-4-14-5-2-7/h1-2,4-6,18H,3H2.
What are the key properties of [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone has a molecular weight of 259.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 4135977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).