N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine

C12H24N4 — CID 28600418

IUPACN',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1cnn(C)c1
InChIInChI=1S/C12H24N4/c1-4-16(5-2)8-6-7-13-9-12-10-14-15(3)11-12/h10-11,13H,4-9H2,1-3H3
InChIKeyFEOBJONVJXTWSV-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.24
Rot. Bonds8

About N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine

N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 28600418) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID28600418
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1cnn(C)c1
InChIInChI=1S/C12H24N4/c1-4-16(5-2)8-6-7-13-9-12-10-14-15(3)11-12/h10-11,13H,4-9H2,1-3H3
InChIKeyFEOBJONVJXTWSV-UHFFFAOYSA-N
XLogP1.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 103673607
N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine
CID 122166208
4-[(1-methylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
CID 126966638
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 122166252
1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
CID 43180284
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 107319921
N-[(1-methylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28600272
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 126964368
N'-cyclopropyl-N'-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62977755
N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine
CID 107006664
N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62126875
3-(2-methoxyethoxy)-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28721823

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine (CID 28600418) is N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine is CCN(CC)CCCNCc1cnn(C)c1.
What is the InChIKey of N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is FEOBJONVJXTWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-16(5-2)8-6-7-13-9-12-10-14-15(3)11-12/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 28600418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).