1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone

C19H17F3N2O2 — CID 2916977

IUPAC1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
SMILESCc1ccc(C2=NN(C(=O)Cc3ccccc3)C(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C19H17F3N2O2/c1-13-7-9-15(10-8-13)16-12-18(26,19(20,21)22)24(23-16)17(25)11-14-5-3-2-4-6-14/h2-10,26H,11-12H2,1H3
InChIKeyCMVCCTQIJCLDKM-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.43
Rot. Bonds3

About 1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone

1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone (PubChem CID 2916977) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
PubChem CID2916977
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
SMILESCc1ccc(C2=NN(C(=O)Cc3ccccc3)C(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C19H17F3N2O2/c1-13-7-9-15(10-8-13)16-12-18(26,19(20,21)22)24(23-16)17(25)11-14-5-3-2-4-6-14/h2-10,26H,11-12H2,1H3
InChIKeyCMVCCTQIJCLDKM-UHFFFAOYSA-N
XLogP3.43
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone?
The IUPAC name of 1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone (CID 2916977) is 1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone is Cc1ccc(C2=NN(C(=O)Cc3ccccc3)C(O)(C(F)(F)F)C2)cc1.
What is the InChIKey of 1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone?
The InChIKey is CMVCCTQIJCLDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-13-7-9-15(10-8-13)16-12-18(26,19(20,21)22)24(23-16)17(25)11-14-5-3-2-4-6-14/h2-10,26H,11-12H2,1H3.
What are the key properties of 1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone?
1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone has a molecular weight of 362.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone is sourced from PubChem (CID 2916977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).