[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone

C17H15ClN2O4 — CID 171982259

IUPAC[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESCC1=NN(C(=O)c2ccc(O)cc2O)C(O)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15ClN2O4/c1-10-9-17(24,11-2-4-12(18)5-3-11)20(19-10)16(23)14-7-6-13(21)8-15(14)22/h2-8,21-22,24H,9H2,1H3
InChIKeyPFPTVHWJJFDYSR-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.82
Rot. Bonds2

About [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone

[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone (PubChem CID 171982259) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone
PubChem CID171982259
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESCC1=NN(C(=O)c2ccc(O)cc2O)C(O)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15ClN2O4/c1-10-9-17(24,11-2-4-12(18)5-3-11)20(19-10)16(23)14-7-6-13(21)8-15(14)22/h2-8,21-22,24H,9H2,1H3
InChIKeyPFPTVHWJJFDYSR-UHFFFAOYSA-N
XLogP2.82
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone?
The IUPAC name of [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone (CID 171982259) is [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone is CC1=NN(C(=O)c2ccc(O)cc2O)C(O)(c2ccc(Cl)cc2)C1.
What is the InChIKey of [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone?
The InChIKey is PFPTVHWJJFDYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-10-9-17(24,11-2-4-12(18)5-3-11)20(19-10)16(23)14-7-6-13(21)8-15(14)22/h2-8,21-22,24H,9H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone?
[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone has a molecular weight of 346.77 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 171982259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).