N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine

C11H22N4 — CID 102801492

IUPACN'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
SMILESCCNCCCNCc1cn(C)nc1C
InChIInChI=1S/C11H22N4/c1-4-12-6-5-7-13-8-11-9-15(3)14-10(11)2/h9,12-13H,4-8H2,1-3H3
InChIKeyZSDSTBKHXBEFFW-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.82
Rot. Bonds7

About N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine

N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine (PubChem CID 102801492) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
PubChem CID102801492
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
SMILESCCNCCCNCc1cn(C)nc1C
InChIInChI=1S/C11H22N4/c1-4-12-6-5-7-13-8-11-9-15(3)14-10(11)2/h9,12-13H,4-8H2,1-3H3
InChIKeyZSDSTBKHXBEFFW-UHFFFAOYSA-N
XLogP0.82
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
CID 83089811
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 126964368
4-[(1,3-dimethylpyrazol-4-yl)methylamino]butanoic acid
CID 83088801
5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 103263035
N-[(1,3-dimethylpyrazol-4-yl)methyl]hept-6-en-1-amine
CID 107007071
3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanenitrile
CID 83085525
ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate
CID 83089230
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115768183
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropylsulfanyl)ethanamine
CID 115768928
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-propan-2-ylpropanamide
CID 112705218

Frequently Asked Questions

What is the IUPAC name of N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine?
The IUPAC name of N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine (CID 102801492) is N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine?
The canonical SMILES for N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine is CCNCCCNCc1cn(C)nc1C.
What is the InChIKey of N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine?
The InChIKey is ZSDSTBKHXBEFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-12-6-5-7-13-8-11-9-15(3)14-10(11)2/h9,12-13H,4-8H2,1-3H3.
What are the key properties of N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine?
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine is sourced from PubChem (CID 102801492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).