5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine

C14H28N4O2 — CID 82965850

IUPAC5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCOCCN(CCOCC)c1c(N)c(CC)nn1C
InChIInChI=1S/C14H28N4O2/c1-5-12-13(15)14(17(4)16-12)18(8-10-19-6-2)9-11-20-7-3/h5-11,15H2,1-4H3
InChIKeyKZLISNHKNOODQC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.44
Rot. Bonds10

About 5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine

5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 82965850) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID82965850
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCOCCN(CCOCC)c1c(N)c(CC)nn1C
InChIInChI=1S/C14H28N4O2/c1-5-12-13(15)14(17(4)16-12)18(8-10-19-6-2)9-11-20-7-3/h5-11,15H2,1-4H3
InChIKeyKZLISNHKNOODQC-UHFFFAOYSA-N
XLogP1.44
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methoxyethyl)amino]ethanol
CID 113467651
3-ethyl-5-N,1-dimethyl-5-N-propylpyrazole-4,5-diamine
CID 66014379
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide
CID 66015190
5-N-butyl-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine
CID 66016939
5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 82959710
5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 81059062
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide
CID 66016997
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]-N,N-dimethylacetamide
CID 66016573
[5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
CID 63696879
4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine
CID 63697047
3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile
CID 66016039
2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80833994

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine (CID 82965850) is 5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine is CCOCCN(CCOCC)c1c(N)c(CC)nn1C.
What is the InChIKey of 5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is KZLISNHKNOODQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-5-12-13(15)14(17(4)16-12)18(8-10-19-6-2)9-11-20-7-3/h5-11,15H2,1-4H3.
What are the key properties of 5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 284.40 g/mol, XLogP of 1.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 82965850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).