1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone

C11H9ClN2O2 — CID 115041852

IUPAC1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2cccc(O)c2)c1Cl
InChIInChI=1S/C11H9ClN2O2/c1-7(15)10-6-13-14(11(10)12)8-3-2-4-9(16)5-8/h2-6,16H,1H3
InChIKeyXNVVOWMPQWEKMU-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.43
Rot. Bonds2

About 1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone

1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone (PubChem CID 115041852) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone
PubChem CID115041852
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2cccc(O)c2)c1Cl
InChIInChI=1S/C11H9ClN2O2/c1-7(15)10-6-13-14(11(10)12)8-3-2-4-9(16)5-8/h2-6,16H,1H3
InChIKeyXNVVOWMPQWEKMU-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361608
ethyl 5-chloro-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 21289675
ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate
CID 21289696
3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol
CID 117232886
3-(5-chloro-4-cyclohexyloxypyrazol-1-yl)phenol
CID 117232892
1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid
CID 115069036
1-(3-acetylphenyl)-5-aminopyrazole-4-carboxylic acid
CID 82365360
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31812512
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
1-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylurea
CID 86835858
1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone
CID 4292209

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone (CID 115041852) is 1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone is CC(=O)c1cnn(-c2cccc(O)c2)c1Cl.
What is the InChIKey of 1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone?
The InChIKey is XNVVOWMPQWEKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7(15)10-6-13-14(11(10)12)8-3-2-4-9(16)5-8/h2-6,16H,1H3.
What are the key properties of 1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone?
1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone has a molecular weight of 236.66 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 115041852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).