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

C17H26N4 — CID 64799449

IUPACN'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCC(C)n1ccc(CN(CCN)Cc2ccccc2)n1
InChIInChI=1S/C17H26N4/c1-3-15(2)21-11-9-17(19-21)14-20(12-10-18)13-16-7-5-4-6-8-16/h4-9,11,15H,3,10,12-14,18H2,1-2H3
InChIKeyIBLMHGQIALTBTL-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.82
Rot. Bonds8

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

N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 64799449) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID64799449
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCC(C)n1ccc(CN(CCN)Cc2ccccc2)n1
InChIInChI=1S/C17H26N4/c1-3-15(2)21-11-9-17(19-21)14-20(12-10-18)13-16-7-5-4-6-8-16/h4-9,11,15H,3,10,12-14,18H2,1-2H3
InChIKeyIBLMHGQIALTBTL-UHFFFAOYSA-N
XLogP2.82
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-benzyl-N'-[(1-butan-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
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 64783778
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol
CID 64777688
N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride
CID 120844370
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 104869964
3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile
CID 64800723
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine
CID 64800225
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine
CID 64801567
N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 113468470
3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 77053137

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine (CID 64799449) is N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine is CCC(C)n1ccc(CN(CCN)Cc2ccccc2)n1.
What is the InChIKey of N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is IBLMHGQIALTBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-15(2)21-11-9-17(19-21)14-20(12-10-18)13-16-7-5-4-6-8-16/h4-9,11,15H,3,10,12-14,18H2,1-2H3.
What are the key properties of N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 286.42 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 64799449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).