N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine

C12H24N4O — CID 113468470

IUPACN'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCOCCN(CCN)Cc1ccn(C(C)C)n1
InChIInChI=1S/C12H24N4O/c1-11(2)16-6-4-12(14-16)10-15(7-5-13)8-9-17-3/h4,6,11H,5,7-10,13H2,1-3H3
InChIKeyAUZMQRLEQATAPF-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds8

About N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 113468470) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID113468470
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCOCCN(CCN)Cc1ccn(C(C)C)n1
InChIInChI=1S/C12H24N4O/c1-11(2)16-6-4-12(14-16)10-15(7-5-13)8-9-17-3/h4,6,11H,5,7-10,13H2,1-3H3
InChIKeyAUZMQRLEQATAPF-UHFFFAOYSA-N
XLogP0.87
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-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

N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799832
2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 115741469
N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799449
2-chloro-3-methoxy-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 64801718
1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 64771323
N-(2-bromoethyl)-2,2-difluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 107487591
2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 64773049
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
N',N'-bis(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride
CID 86811567
1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine
CID 81490431
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64800022
1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64772866

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine (CID 113468470) is N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine is COCCN(CCN)Cc1ccn(C(C)C)n1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is AUZMQRLEQATAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-11(2)16-6-4-12(14-16)10-15(7-5-13)8-9-17-3/h4,6,11H,5,7-10,13H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 113468470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).