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

C10H9ClN2O — CID 53438199

IUPAC5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(c2ccccc2Cl)CC1=O
InChIInChI=1S/C10H9ClN2O/c1-13-10(14)6-9(12-13)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
InChIKeyKPNBLLHBTLEMLN-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.91
Rot. Bonds1

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

5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one (PubChem CID 53438199) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one
PubChem CID53438199
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(c2ccccc2Cl)CC1=O
InChIInChI=1S/C10H9ClN2O/c1-13-10(14)6-9(12-13)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
InChIKeyKPNBLLHBTLEMLN-UHFFFAOYSA-N
XLogP1.91
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one?
The IUPAC name of 5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one (CID 53438199) is 5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one?
The canonical SMILES for 5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one is CN1N=C(c2ccccc2Cl)CC1=O.
What is the InChIKey of 5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one?
The InChIKey is KPNBLLHBTLEMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-13-10(14)6-9(12-13)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one?
5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one has a molecular weight of 208.65 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 53438199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).