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

C13H26N4 — CID 103851922

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCc1cnn(C)c1C
InChIInChI=1S/C13H26N4/c1-5-8-17(6-2)9-7-14-10-13-11-15-16(4)12(13)3/h11,14H,5-10H2,1-4H3
InChIKeyAOSDBWAPLULDAO-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.55
Rot. Bonds8

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine (PubChem CID 103851922) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
PubChem CID103851922
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCc1cnn(C)c1C
InChIInChI=1S/C13H26N4/c1-5-8-17(6-2)9-7-14-10-13-11-15-16(4)12(13)3/h11,14H,5-10H2,1-4H3
InChIKeyAOSDBWAPLULDAO-UHFFFAOYSA-N
XLogP1.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.55
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'-butan-2-yl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 103851529
1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 114140218
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103851543
N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 122165976
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
2-tert-butylsulfanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115767802
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
CID 79579132
6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
CID 115768038
tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 106037799
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethylethane-1,2-diamine
CID 103102219
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide
CID 102675063

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine (CID 103851922) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine is CCCN(CC)CCNCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is AOSDBWAPLULDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-8-17(6-2)9-7-14-10-13-11-15-16(4)12(13)3/h11,14H,5-10H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 103851922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).