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

C12H11F3N2O2 — CID 2858817

IUPAC[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
SMILESCC1=NN(C(=O)c2ccccc2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C12H11F3N2O2/c1-8-7-11(19,12(13,14)15)17(16-8)10(18)9-5-3-2-4-6-9/h2-6,19H,7H2,1H3
InChIKeyQHRPJDWDUJXQRW-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.16
Rot. Bonds1

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

[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone (PubChem CID 2858817) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
PubChem CID2858817
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
SMILESCC1=NN(C(=O)c2ccccc2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C12H11F3N2O2/c1-8-7-11(19,12(13,14)15)17(16-8)10(18)9-5-3-2-4-6-9/h2-6,19H,7H2,1H3
InChIKeyQHRPJDWDUJXQRW-UHFFFAOYSA-N
XLogP2.16
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The IUPAC name of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone (CID 2858817) is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone is CC1=NN(C(=O)c2ccccc2)C(O)(C(F)(F)F)C1.
What is the InChIKey of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The InChIKey is QHRPJDWDUJXQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-8-7-11(19,12(13,14)15)17(16-8)10(18)9-5-3-2-4-6-9/h2-6,19H,7H2,1H3.
What are the key properties of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone has a molecular weight of 272.23 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 2858817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).