2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one

C14H20N6O — CID 114393541

IUPAC2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESNc1cnn(CCn2ncc(N3CCCCC3)cc2=O)c1
InChIInChI=1S/C14H20N6O/c15-12-9-16-19(11-12)6-7-20-14(21)8-13(10-17-20)18-4-2-1-3-5-18/h8-11H,1-7,15H2
InChIKeyLUWDNOKWDYSGIV-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.71
Rot. Bonds4

About 2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one

2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 114393541) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID114393541
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESNc1cnn(CCn2ncc(N3CCCCC3)cc2=O)c1
InChIInChI=1S/C14H20N6O/c15-12-9-16-19(11-12)6-7-20-14(21)8-13(10-17-20)18-4-2-1-3-5-18/h8-11H,1-7,15H2
InChIKeyLUWDNOKWDYSGIV-UHFFFAOYSA-N
XLogP0.71
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114397548
2-[(E)-4-chlorobut-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394198
2-(2-piperidin-2-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395871
2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
CID 72874397
2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97194937
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396424
2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72921157

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one (CID 114393541) is 2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one is Nc1cnn(CCn2ncc(N3CCCCC3)cc2=O)c1.
What is the InChIKey of 2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is LUWDNOKWDYSGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c15-12-9-16-19(11-12)6-7-20-14(21)8-13(10-17-20)18-4-2-1-3-5-18/h8-11H,1-7,15H2.
What are the key properties of 2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one?
2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114393541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).