N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine

C12H24N4 — CID 43663207

IUPACN',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1ccnn1C
InChIInChI=1S/C12H24N4/c1-4-16(5-2)10-6-8-13-11-12-7-9-14-15(12)3/h7,9,13H,4-6,8,10-11H2,1-3H3
InChIKeyORTHAPMCCJKMSS-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.24
Rot. Bonds8

About N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine

N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine (PubChem CID 43663207) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine
PubChem CID43663207
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1ccnn1C
InChIInChI=1S/C12H24N4/c1-4-16(5-2)10-6-8-13-11-12-7-9-14-15(12)3/h7,9,13H,4-6,8,10-11H2,1-3H3
InChIKeyORTHAPMCCJKMSS-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-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923033
4-[(2-methylpyrazol-3-yl)methylamino]butanamide
CID 60863582
N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine
CID 106723723
3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 43435289
3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103015326
N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103000722
2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 104562263
N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 28600418
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 103014026
3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 43663377
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 115576208
3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663301

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine (CID 43663207) is N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine is CCN(CC)CCCNCc1ccnn1C.
What is the InChIKey of N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is ORTHAPMCCJKMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-16(5-2)10-6-8-13-11-12-7-9-14-15(12)3/h7,9,13H,4-6,8,10-11H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
N',N'-diethyl-N-[(2-methylpyrazol-3-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-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 43663207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).