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

C20H24N4O — CID 120844312

IUPACN'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine
SMILESCOc1ccccc1-n1nccc1CN(CCN)Cc1ccccc1
InChIInChI=1S/C20H24N4O/c1-25-20-10-6-5-9-19(20)24-18(11-13-22-24)16-23(14-12-21)15-17-7-3-2-4-8-17/h2-11,13H,12,14-16,21H2,1H3
InChIKeyXOUMSTOOUINIBR-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.84
Rot. Bonds8

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

N'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine (PubChem CID 120844312) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine
PubChem CID120844312
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine
SMILESCOc1ccccc1-n1nccc1CN(CCN)Cc1ccccc1
InChIInChI=1S/C20H24N4O/c1-25-20-10-6-5-9-19(20)24-18(11-13-22-24)16-23(14-12-21)15-17-7-3-2-4-8-17/h2-11,13H,12,14-16,21H2,1H3
InChIKeyXOUMSTOOUINIBR-UHFFFAOYSA-N
XLogP2.84
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-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

[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 83881539
N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 107364942
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine
CID 120834427
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837654
N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 39423483
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N-(2-aminoethyl)-1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837260
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 120840739
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843343
N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 106511380
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine (CID 120844312) is N'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine is COc1ccccc1-n1nccc1CN(CCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine?
The InChIKey is XOUMSTOOUINIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-25-20-10-6-5-9-19(20)24-18(11-13-22-24)16-23(14-12-21)15-17-7-3-2-4-8-17/h2-11,13H,12,14-16,21H2,1H3.
What are the key properties of N'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine?
N'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine has a molecular weight of 336.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 120844312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).