4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one

C14H21N5O — CID 63971084

IUPAC4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one
SMILESCCCC1=NN(c2ccc(C)nn2)C(=O)C1CCCN
InChIInChI=1S/C14H21N5O/c1-3-5-12-11(6-4-9-15)14(20)19(18-12)13-8-7-10(2)16-17-13/h7-8,11H,3-6,9,15H2,1-2H3
InChIKeyJUWIZMZCYDWZAI-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.64
Rot. Bonds6

About 4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one

4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one (PubChem CID 63971084) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one
PubChem CID63971084
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one
SMILESCCCC1=NN(c2ccc(C)nn2)C(=O)C1CCCN
InChIInChI=1S/C14H21N5O/c1-3-5-12-11(6-4-9-15)14(20)19(18-12)13-8-7-10(2)16-17-13/h7-8,11H,3-6,9,15H2,1-2H3
InChIKeyJUWIZMZCYDWZAI-UHFFFAOYSA-N
XLogP1.64
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-aminopropyl)-5-methyl-2-(6-methylpyridazin-3-yl)-4H-pyrazol-3-one
CID 63971266
4-(3-aminopropyl)-5-ethyl-2-(4-fluoro-2-methylphenyl)-4H-pyrazol-3-one
CID 63973803
4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one
CID 81041179
4-(3-aminopropyl)-2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
CID 63971655
4-(3-aminopropyl)-5-propan-2-yl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822578
4-(2-aminoethyl)-2-(2,5-dimethylphenyl)-5-ethyl-4H-pyrazol-3-one
CID 63972811
4-(3-aminopropyl)-2-(2-fluorophenyl)-5-methyl-4H-pyrazol-3-one
CID 63972425
4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one
CID 63971066
(Z)-3-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]prop-2-enoic acid
CID 6368348
2-[1-(6-methylpyridazin-3-yl)piperidin-2-yl]ethanamine
CID 63655181
ethyl 3-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)propanoate
CID 103293771
2-[1-(6-propylpyridazin-3-yl)piperidin-4-yl]ethanamine
CID 116972543

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one?
The IUPAC name of 4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one (CID 63971084) is 4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one?
The canonical SMILES for 4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one is CCCC1=NN(c2ccc(C)nn2)C(=O)C1CCCN.
What is the InChIKey of 4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one?
The InChIKey is JUWIZMZCYDWZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-5-12-11(6-4-9-15)14(20)19(18-12)13-8-7-10(2)16-17-13/h7-8,11H,3-6,9,15H2,1-2H3.
What are the key properties of 4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one?
4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one has a molecular weight of 275.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one is sourced from PubChem (CID 63971084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).