[1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol

C17H13Cl2IN2O — CID 143943814

IUPAC[1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol
SMILESCc1c(CO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1
InChIInChI=1S/C17H13Cl2IN2O/c1-10-15(9-23)21-22(16-7-4-12(18)8-14(16)19)17(10)11-2-5-13(20)6-3-11/h2-8,23H,9H2,1H3
InChIKeyOXTUJGGHJGISFA-UHFFFAOYSA-N
MW459.11 g/mol
LogP5.25
Rot. Bonds3

About [1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol

[1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol (PubChem CID 143943814) has the molecular formula C17H13Cl2IN2O and a molecular weight of 459.11 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol
PubChem CID143943814
Molecular FormulaC17H13Cl2IN2O
Molecular Weight459.11 g/mol
Exact Mass457.94
IUPAC Name[1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol
SMILESCc1c(CO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1
InChIInChI=1S/C17H13Cl2IN2O/c1-10-15(9-23)21-22(16-7-4-12(18)8-14(16)19)17(10)11-2-5-13(20)6-3-11/h2-8,23H,9H2,1H3
InChIKeyOXTUJGGHJGISFA-UHFFFAOYSA-N
XLogP5.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.11
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide
CID 118923029
N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methyl]prop-2-enamide
CID 162699825
5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole
CID 141379304
1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-5-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 66839369
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]ethanol
CID 123417609
1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
CID 82419272
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 66844170
1-(1-adamantyl)-4-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]butan-2-one
CID 163711398
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
CID 46837031
5-(4-bromophenyl)-3-(2-cyclohexylethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole
CID 59747719
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide;ethane
CID 143858232
1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
CID 59703686

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol?
The IUPAC name of [1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol (CID 143943814) is [1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol?
The canonical SMILES for [1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol is Cc1c(CO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1.
What is the InChIKey of [1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol?
The InChIKey is OXTUJGGHJGISFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2IN2O/c1-10-15(9-23)21-22(16-7-4-12(18)8-14(16)19)17(10)11-2-5-13(20)6-3-11/h2-8,23H,9H2,1H3.
What are the key properties of [1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol?
[1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol has a molecular weight of 459.11 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 143943814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).