4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one

C13H18ClN5O — CID 103007686

IUPAC4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCc2ccnn2C)c(Cl)c1=O
InChIInChI=1S/C13H18ClN5O/c1-3-8-19-13(20)12(14)11(9-17-19)15-6-4-10-5-7-16-18(10)2/h5,7,9,15H,3-4,6,8H2,1-2H3
InChIKeyZWNBGAOVROAKAC-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.69
Rot. Bonds6

About 4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one

4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one (PubChem CID 103007686) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one
PubChem CID103007686
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCc2ccnn2C)c(Cl)c1=O
InChIInChI=1S/C13H18ClN5O/c1-3-8-19-13(20)12(14)11(9-17-19)15-6-4-10-5-7-16-18(10)2/h5,7,9,15H,3-4,6,8H2,1-2H3
InChIKeyZWNBGAOVROAKAC-UHFFFAOYSA-N
XLogP1.69
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
CID 104696007
4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114440096
5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
CID 114442009
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 106337789
4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114443493
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one
CID 114432838
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435208
3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695941

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one (CID 103007686) is 4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCCc2ccnn2C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one?
The InChIKey is ZWNBGAOVROAKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-3-8-19-13(20)12(14)11(9-17-19)15-6-4-10-5-7-16-18(10)2/h5,7,9,15H,3-4,6,8H2,1-2H3.
What are the key properties of 4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one?
4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one has a molecular weight of 295.77 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 103007686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).