2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one

C18H18ClN5O — CID 162740265

IUPAC2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
SMILESCc1ccc(Cl)nc1.O=C1CCCN1c1cc(-c2ccncc2)[nH]n1
InChIInChI=1S/C12H12N4O.C6H6ClN/c17-12-2-1-7-16(12)11-8-10(14-15-11)9-3-5-13-6-4-9;1-5-2-3-6(7)8-4-5/h3-6,8H,1-2,7H2,(H,14,15);2-4H,1H3
InChIKeyKSQQASAOSARZSD-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.64
Rot. Bonds2

About 2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one

2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one (PubChem CID 162740265) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
PubChem CID162740265
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
SMILESCc1ccc(Cl)nc1.O=C1CCCN1c1cc(-c2ccncc2)[nH]n1
InChIInChI=1S/C12H12N4O.C6H6ClN/c17-12-2-1-7-16(12)11-8-10(14-15-11)9-3-5-13-6-4-9;1-5-2-3-6(7)8-4-5/h3-6,8H,1-2,7H2,(H,14,15);2-4H,1H3
InChIKeyKSQQASAOSARZSD-UHFFFAOYSA-N
XLogP3.64
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one (CID 162740265) is 2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one is Cc1ccc(Cl)nc1.O=C1CCCN1c1cc(-c2ccncc2)[nH]n1.
What is the InChIKey of 2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is KSQQASAOSARZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O.C6H6ClN/c17-12-2-1-7-16(12)11-8-10(14-15-11)9-3-5-13-6-4-9;1-5-2-3-6(7)8-4-5/h3-6,8H,1-2,7H2,(H,14,15);2-4H,1H3.
What are the key properties of 2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one?
2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 355.83 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 162740265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).