N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine

C15H22N4 — CID 62127057

IUPACN'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCn1cc(CN(CCN)Cc2ccccc2)cn1
InChIInChI=1S/C15H22N4/c1-2-19-13-15(10-17-19)12-18(9-8-16)11-14-6-4-3-5-7-14/h3-7,10,13H,2,8-9,11-12,16H2,1H3
InChIKeyDRMBIURRGUMJJX-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.86
Rot. Bonds7

About N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine

N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 62127057) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID62127057
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCn1cc(CN(CCN)Cc2ccccc2)cn1
InChIInChI=1S/C15H22N4/c1-2-19-13-15(10-17-19)12-18(9-8-16)11-14-6-4-3-5-7-14/h3-7,10,13H,2,8-9,11-12,16H2,1H3
InChIKeyDRMBIURRGUMJJX-UHFFFAOYSA-N
XLogP1.86
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120912684
N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 104869964
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
1,4-diethylpyrazole;ethane
CID 143641951
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120895703
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline
CID 62127965
N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844295
N'-benzyl-N'-[(4-bromo-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844337
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine (CID 62127057) is N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine is CCn1cc(CN(CCN)Cc2ccccc2)cn1.
What is the InChIKey of N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is DRMBIURRGUMJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-19-13-15(10-17-19)12-18(9-8-16)11-14-6-4-3-5-7-14/h3-7,10,13H,2,8-9,11-12,16H2,1H3.
What are the key properties of N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine?
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62127057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).