N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine

C16H25N5 — CID 103294605

IUPACN-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNCCc1c(CC)nn(-c2cccnn2)c1CC
InChIInChI=1S/C16H25N5/c1-4-10-17-12-9-13-14(5-2)20-21(15(13)6-3)16-8-7-11-18-19-16/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyMOFVFBWHFACEIF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.33
Rot. Bonds8

About N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine

N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 103294605) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID103294605
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNCCc1c(CC)nn(-c2cccnn2)c1CC
InChIInChI=1S/C16H25N5/c1-4-10-17-12-9-13-14(5-2)20-21(15(13)6-3)16-8-7-11-18-19-16/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyMOFVFBWHFACEIF-UHFFFAOYSA-N
XLogP2.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107431163
2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine
CID 82880485
N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 107431053
2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine
CID 79224863
(5-ethyl-1-pyridazin-3-ylpyrazol-4-yl)methanamine
CID 103294537
N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 112671374
1-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)-N-methylmethanamine
CID 107431079
2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine
CID 79224910
3-imidazol-1-ylpyridazine
CID 19095571
N-[2-[1-(5-bromo-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79225803
3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 103294582
N-[2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79224678

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine (CID 103294605) is N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine is CCCNCCc1c(CC)nn(-c2cccnn2)c1CC.
What is the InChIKey of N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is MOFVFBWHFACEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-10-17-12-9-13-14(5-2)20-21(15(13)6-3)16-8-7-11-18-19-16/h7-8,11,17H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103294605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).