2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one

C10H9ClN2O2 — CID 140764065

IUPAC2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one
SMILESCOc1ccc(Cl)cc1-n1ccc(=O)[nH]1
InChIInChI=1S/C10H9ClN2O2/c1-15-9-3-2-7(11)6-8(9)13-5-4-10(14)12-13/h2-6H,1H3,(H,12,14)
InChIKeyZCQFDZWFAIIEAR-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.83
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one

2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one (PubChem CID 140764065) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one
PubChem CID140764065
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one
SMILESCOc1ccc(Cl)cc1-n1ccc(=O)[nH]1
InChIInChI=1S/C10H9ClN2O2/c1-15-9-3-2-7(11)6-8(9)13-5-4-10(14)12-13/h2-6H,1H3,(H,12,14)
InChIKeyZCQFDZWFAIIEAR-UHFFFAOYSA-N
XLogP1.83
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one (CID 140764065) is 2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one is COc1ccc(Cl)cc1-n1ccc(=O)[nH]1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one?
The InChIKey is ZCQFDZWFAIIEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-15-9-3-2-7(11)6-8(9)13-5-4-10(14)12-13/h2-6H,1H3,(H,12,14).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one?
2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one has a molecular weight of 224.65 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one is sourced from PubChem (CID 140764065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).