[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone

C17H13F3N2O2 — CID 2859117

IUPAC[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccccc2)CC1(O)C(F)(F)F
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)16(24)11-14(12-7-3-1-4-8-12)21-22(16)15(23)13-9-5-2-6-10-13/h1-10,24H,11H2
InChIKeyGCIZXSKDPAABMM-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.19
Rot. Bonds2

About [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone

[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone (PubChem CID 2859117) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
PubChem CID2859117
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccccc2)CC1(O)C(F)(F)F
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)16(24)11-14(12-7-3-1-4-8-12)21-22(16)15(23)13-9-5-2-6-10-13/h1-10,24H,11H2
InChIKeyGCIZXSKDPAABMM-UHFFFAOYSA-N
XLogP3.19
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The IUPAC name of [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone (CID 2859117) is [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(c2ccccc2)CC1(O)C(F)(F)F.
What is the InChIKey of [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The InChIKey is GCIZXSKDPAABMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)16(24)11-14(12-7-3-1-4-8-12)21-22(16)15(23)13-9-5-2-6-10-13/h1-10,24H,11H2.
What are the key properties of [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone has a molecular weight of 334.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 2859117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).