(4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone

C17H15ClN2O2 — CID 2845040

IUPAC(4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C17H15ClN2O2/c1-12-11-17(22,14-5-3-2-4-6-14)20(19-12)16(21)13-7-9-15(18)10-8-13/h2-10,22H,11H2,1H3
InChIKeyUQZJXBJQCLTRHC-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.41
Rot. Bonds2

About (4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone

(4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone (PubChem CID 2845040) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
PubChem CID2845040
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name(4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C17H15ClN2O2/c1-12-11-17(22,14-5-3-2-4-6-14)20(19-12)16(21)13-7-9-15(18)10-8-13/h2-10,22H,11H2,1H3
InChIKeyUQZJXBJQCLTRHC-UHFFFAOYSA-N
XLogP3.41
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone (CID 2845040) is (4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone is CC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccccc2)C1.
What is the InChIKey of (4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
The InChIKey is UQZJXBJQCLTRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-12-11-17(22,14-5-3-2-4-6-14)20(19-12)16(21)13-7-9-15(18)10-8-13/h2-10,22H,11H2,1H3.
What are the key properties of (4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
(4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone has a molecular weight of 314.77 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone is sourced from PubChem (CID 2845040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).