5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine

C12H24N4O — CID 81059062

IUPAC5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCCOCCN(C)c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C12H24N4O/c1-6-17-8-7-15(4)12-10(13)11(9(2)3)14-16(12)5/h9H,6-8,13H2,1-5H3
InChIKeyXGSNGWOGBSLTBO-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.60
Rot. Bonds6

About 5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 81059062) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID81059062
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCCOCCN(C)c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C12H24N4O/c1-6-17-8-7-15(4)12-10(13)11(9(2)3)14-16(12)5/h9H,6-8,13H2,1-5H3
InChIKeyXGSNGWOGBSLTBO-UHFFFAOYSA-N
XLogP1.60
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]ethanol
CID 66019160
5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011559
1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol
CID 66019786
5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66017999
5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019013
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol
CID 66019367
5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 66011388
5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine
CID 112656930
5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66012525
5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 82965850
5-N,1-dimethyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011553
5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 81056227

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine (CID 81059062) is 5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine is CCOCCN(C)c1c(N)c(C(C)C)nn1C.
What is the InChIKey of 5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is XGSNGWOGBSLTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-6-17-8-7-15(4)12-10(13)11(9(2)3)14-16(12)5/h9H,6-8,13H2,1-5H3.
What are the key properties of 5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 240.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 81059062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).