2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one

C9H7ClN2O2 — CID 86220715

IUPAC2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one
SMILESO=c1ccn(-c2ccc(Cl)cc2O)[nH]1
InChIInChI=1S/C9H7ClN2O2/c10-6-1-2-7(8(13)5-6)12-4-3-9(14)11-12/h1-5,13H,(H,11,14)
InChIKeyAVNZJTYXIWEOTQ-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.52
Rot. Bonds1

About 2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one

2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one (PubChem CID 86220715) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one
PubChem CID86220715
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one
SMILESO=c1ccn(-c2ccc(Cl)cc2O)[nH]1
InChIInChI=1S/C9H7ClN2O2/c10-6-1-2-7(8(13)5-6)12-4-3-9(14)11-12/h1-5,13H,(H,11,14)
InChIKeyAVNZJTYXIWEOTQ-UHFFFAOYSA-N
XLogP1.52
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one?
The IUPAC name of 2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one (CID 86220715) is 2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one?
The canonical SMILES for 2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one is O=c1ccn(-c2ccc(Cl)cc2O)[nH]1.
What is the InChIKey of 2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one?
The InChIKey is AVNZJTYXIWEOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-6-1-2-7(8(13)5-6)12-4-3-9(14)11-12/h1-5,13H,(H,11,14).
What are the key properties of 2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one?
2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one has a molecular weight of 210.62 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-hydroxyphenyl)-1H-pyrazol-5-one is sourced from PubChem (CID 86220715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).