1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone

C19H19BrN2O2 — CID 2883867

IUPAC1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone
SMILESCCC1=NN(C(=O)Cc2ccccc2)C(O)(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H19BrN2O2/c1-2-17-13-19(24,15-8-10-16(20)11-9-15)22(21-17)18(23)12-14-6-4-3-5-7-14/h3-11,24H,2,12-13H2,1H3
InChIKeyADTFFEIVZRTKAD-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.84
Rot. Bonds4

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

1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone (PubChem CID 2883867) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone
PubChem CID2883867
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone
SMILESCCC1=NN(C(=O)Cc2ccccc2)C(O)(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H19BrN2O2/c1-2-17-13-19(24,15-8-10-16(20)11-9-15)22(21-17)18(23)12-14-6-4-3-5-7-14/h3-11,24H,2,12-13H2,1H3
InChIKeyADTFFEIVZRTKAD-UHFFFAOYSA-N
XLogP3.84
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone?
The IUPAC name of 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone (CID 2883867) is 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone is CCC1=NN(C(=O)Cc2ccccc2)C(O)(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone?
The InChIKey is ADTFFEIVZRTKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-2-17-13-19(24,15-8-10-16(20)11-9-15)22(21-17)18(23)12-14-6-4-3-5-7-14/h3-11,24H,2,12-13H2,1H3.
What are the key properties of 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone?
1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone has a molecular weight of 387.28 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-phenylethanone is sourced from PubChem (CID 2883867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).