5-(4-chlorophenyl)-2-methylpyrazolidin-3-one

C10H11ClN2O — CID 59098195

IUPAC5-(4-chlorophenyl)-2-methylpyrazolidin-3-one
SMILESCN1NC(c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C10H11ClN2O/c1-13-10(14)6-9(12-13)7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3
InChIKeyHRKVNMMKOFXYBI-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.75
Rot. Bonds1

About 5-(4-chlorophenyl)-2-methylpyrazolidin-3-one

5-(4-chlorophenyl)-2-methylpyrazolidin-3-one (PubChem CID 59098195) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methylpyrazolidin-3-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methylpyrazolidin-3-one
PubChem CID59098195
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name5-(4-chlorophenyl)-2-methylpyrazolidin-3-one
SMILESCN1NC(c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C10H11ClN2O/c1-13-10(14)6-9(12-13)7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3
InChIKeyHRKVNMMKOFXYBI-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22248788
(3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione
CID 53466592
(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 2097974
6-(4-chlorophenyl)diazinan-3-one
CID 139782184
(4S)-4-(4-chlorophenyl)azetidine-2-thione
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2-(4-chlorophenyl)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 156600979
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 5305598
3-(4-chlorophenyl)azetidine-1-carboxamide
CID 20744165
2-(4-chlorophenyl)-3-cyclobutyl-5-methylimidazolidin-4-one
CID 83254897
2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 175389640
(6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one
CID 67352258

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methylpyrazolidin-3-one?
The IUPAC name of 5-(4-chlorophenyl)-2-methylpyrazolidin-3-one (CID 59098195) is 5-(4-chlorophenyl)-2-methylpyrazolidin-3-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methylpyrazolidin-3-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-methylpyrazolidin-3-one is CN1NC(c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 5-(4-chlorophenyl)-2-methylpyrazolidin-3-one?
The InChIKey is HRKVNMMKOFXYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-13-10(14)6-9(12-13)7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-methylpyrazolidin-3-one?
5-(4-chlorophenyl)-2-methylpyrazolidin-3-one has a molecular weight of 210.66 g/mol, XLogP of 1.75, 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-methylpyrazolidin-3-one is sourced from PubChem (CID 59098195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).