N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine

C12H24N4 — CID 122165976

IUPACN-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1c(C)cnn1C
InChIInChI=1S/C12H24N4/c1-5-16(6-2)8-7-13-10-12-11(3)9-14-15(12)4/h9,13H,5-8,10H2,1-4H3
InChIKeyLZJVXKQSSCNGNW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.16
Rot. Bonds7

About N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine

N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 122165976) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
PubChem CID122165976
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1c(C)cnn1C
InChIInChI=1S/C12H24N4/c1-5-16(6-2)8-7-13-10-12-11(3)9-14-15(12)4/h9,13H,5-8,10H2,1-4H3
InChIKeyLZJVXKQSSCNGNW-UHFFFAOYSA-N
XLogP1.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.16
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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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine (CID 122165976) is N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCc1c(C)cnn1C.
What is the InChIKey of N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is LZJVXKQSSCNGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-16(6-2)8-7-13-10-12-11(3)9-14-15(12)4/h9,13H,5-8,10H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine?
N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 122165976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).