5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one

C10H9ClN2O — CID 23150870

IUPAC5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C10H9ClN2O/c1-13-10(14)6-9(12-13)7-2-4-8(11)5-3-7/h2-6,12H,1H3
InChIKeyFWOQNTZWNQAZAI-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.03
Rot. Bonds1

About 5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one

5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one (PubChem CID 23150870) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one
PubChem CID23150870
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C10H9ClN2O/c1-13-10(14)6-9(12-13)7-2-4-8(11)5-3-7/h2-6,12H,1H3
InChIKeyFWOQNTZWNQAZAI-UHFFFAOYSA-N
XLogP2.03
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one (CID 23150870) is 5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one is Cn1[nH]c(-c2ccc(Cl)cc2)cc1=O.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one?
The InChIKey is FWOQNTZWNQAZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-13-10(14)6-9(12-13)7-2-4-8(11)5-3-7/h2-6,12H,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one?
5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one has a molecular weight of 208.65 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 23150870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).