1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one

C10H11ClN4O — CID 82896865

IUPAC1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one
SMILESNc1nn(CCn2ccccc2=O)cc1Cl
InChIInChI=1S/C10H11ClN4O/c11-8-7-15(13-10(8)12)6-5-14-4-2-1-3-9(14)16/h1-4,7H,5-6H2,(H2,12,13)
InChIKeyHWTKBAHHFCFIHD-UHFFFAOYSA-N
MW238.68 g/mol
LogP0.98
Rot. Bonds3

About 1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one

1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one (PubChem CID 82896865) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one
PubChem CID82896865
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one
SMILESNc1nn(CCn2ccccc2=O)cc1Cl
InChIInChI=1S/C10H11ClN4O/c11-8-7-15(13-10(8)12)6-5-14-4-2-1-3-9(14)16/h1-4,7H,5-6H2,(H2,12,13)
InChIKeyHWTKBAHHFCFIHD-UHFFFAOYSA-N
XLogP0.98
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one (CID 82896865) is 1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one is Nc1nn(CCn2ccccc2=O)cc1Cl.
What is the InChIKey of 1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one?
The InChIKey is HWTKBAHHFCFIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c11-8-7-15(13-10(8)12)6-5-14-4-2-1-3-9(14)16/h1-4,7H,5-6H2,(H2,12,13).
What are the key properties of 1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one?
1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one has a molecular weight of 238.68 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 82896865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).