5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one

C13H17ClN4O — CID 55038696

IUPAC5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one
SMILESCc1nn(CCCn2cc(N)ccc2=O)c(C)c1Cl
InChIInChI=1S/C13H17ClN4O/c1-9-13(14)10(2)18(16-9)7-3-6-17-8-11(15)4-5-12(17)19/h4-5,8H,3,6-7,15H2,1-2H3
InChIKeyHEVREZPACKMESB-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.99
Rot. Bonds4

About 5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one

5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one (PubChem CID 55038696) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one
PubChem CID55038696
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one
SMILESCc1nn(CCCn2cc(N)ccc2=O)c(C)c1Cl
InChIInChI=1S/C13H17ClN4O/c1-9-13(14)10(2)18(16-9)7-3-6-17-8-11(15)4-5-12(17)19/h4-5,8H,3,6-7,15H2,1-2H3
InChIKeyHEVREZPACKMESB-UHFFFAOYSA-N
XLogP1.99
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one (CID 55038696) is 5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one is Cc1nn(CCCn2cc(N)ccc2=O)c(C)c1Cl.
What is the InChIKey of 5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one?
The InChIKey is HEVREZPACKMESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-9-13(14)10(2)18(16-9)7-3-6-17-8-11(15)4-5-12(17)19/h4-5,8H,3,6-7,15H2,1-2H3.
What are the key properties of 5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one?
5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one has a molecular weight of 280.76 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one is sourced from PubChem (CID 55038696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).