3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one

C15H17ClN4O — CID 170382509

IUPAC3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one
SMILESCN1CCC(C)(c2cc(-c3cccc(Cl)n3)n(C)n2)C1=O
InChIInChI=1S/C15H17ClN4O/c1-15(7-8-19(2)14(15)21)12-9-11(20(3)18-12)10-5-4-6-13(16)17-10/h4-6,9H,7-8H2,1-3H3
InChIKeyQFMDQSZDCRTVIJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.26
Rot. Bonds2

About 3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one

3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one (PubChem CID 170382509) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one
PubChem CID170382509
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one
SMILESCN1CCC(C)(c2cc(-c3cccc(Cl)n3)n(C)n2)C1=O
InChIInChI=1S/C15H17ClN4O/c1-15(7-8-19(2)14(15)21)12-9-11(20(3)18-12)10-5-4-6-13(16)17-10/h4-6,9H,7-8H2,1-3H3
InChIKeyQFMDQSZDCRTVIJ-UHFFFAOYSA-N
XLogP2.26
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326818
3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one
CID 170326593
3-[2-[3-(4-amino-6-chloro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 123350679
2-chloro-6-(6-chloro-2-pyridinyl)pyridine
CID 10987918
(3R)-3-(3-methoxyphenyl)-1,3-dimethylazepan-2-one
CID 11831761
3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350746
(3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170351570
2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one
CID 122704008
6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene
CID 59156356
2-chloro-6-[1-[2-(3,4-diethylphenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine
CID 15392122
(3R)-3-[2-[3-(4-amino-8-phenylpyrido[3,2-d]pyrimidin-6-yl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one
CID 166766008
[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]boronic acid
CID 141444815

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one?
The IUPAC name of 3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one (CID 170382509) is 3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one is CN1CCC(C)(c2cc(-c3cccc(Cl)n3)n(C)n2)C1=O.
What is the InChIKey of 3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one?
The InChIKey is QFMDQSZDCRTVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-15(7-8-19(2)14(15)21)12-9-11(20(3)18-12)10-5-4-6-13(16)17-10/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one?
3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one has a molecular weight of 304.78 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 170382509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).