1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone

C12H11ClN2O2 — CID 103458258

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone
SMILESCn1ncc(Cl)c1C(=O)C(O)c1ccccc1
InChIInChI=1S/C12H11ClN2O2/c1-15-10(9(13)7-14-15)12(17)11(16)8-5-3-2-4-6-8/h2-7,11,16H,1H3
InChIKeyJHTQERAUKUJZTB-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.99
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone

1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone (PubChem CID 103458258) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone
PubChem CID103458258
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone
SMILESCn1ncc(Cl)c1C(=O)C(O)c1ccccc1
InChIInChI=1S/C12H11ClN2O2/c1-15-10(9(13)7-14-15)12(17)11(16)8-5-3-2-4-6-8/h2-7,11,16H,1H3
InChIKeyJHTQERAUKUJZTB-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114668233
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethanone
CID 114642247
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670407
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone
CID 114638889
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylbutan-1-one
CID 115804834
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114670883
4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone
CID 114640025
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone
CID 105132583
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one
CID 114642539
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone (CID 103458258) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone is Cn1ncc(Cl)c1C(=O)C(O)c1ccccc1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone?
The InChIKey is JHTQERAUKUJZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-15-10(9(13)7-14-15)12(17)11(16)8-5-3-2-4-6-8/h2-7,11,16H,1H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone?
1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone has a molecular weight of 250.69 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 103458258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).