1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one

C19H19BrN2O2 — CID 2884186

IUPAC1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one
SMILESCC1=NN(C(=O)CCc2ccccc2)C(O)(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H19BrN2O2/c1-14-13-19(24,16-8-10-17(20)11-9-16)22(21-14)18(23)12-7-15-5-3-2-4-6-15/h2-6,8-11,24H,7,12-13H2,1H3
InChIKeyFCTAUERFIZYCID-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.84
Rot. Bonds4

About 1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one

1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one (PubChem CID 2884186) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one
PubChem CID2884186
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one
SMILESCC1=NN(C(=O)CCc2ccccc2)C(O)(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H19BrN2O2/c1-14-13-19(24,16-8-10-17(20)11-9-16)22(21-14)18(23)12-7-15-5-3-2-4-6-15/h2-6,8-11,24H,7,12-13H2,1H3
InChIKeyFCTAUERFIZYCID-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)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one (CID 2884186) is 1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one is CC1=NN(C(=O)CCc2ccccc2)C(O)(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one?
The InChIKey is FCTAUERFIZYCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-14-13-19(24,16-8-10-17(20)11-9-16)22(21-14)18(23)12-7-15-5-3-2-4-6-15/h2-6,8-11,24H,7,12-13H2,1H3.
What are the key properties of 1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one?
1-[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one 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)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 2884186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).