N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride

C17H27ClN4 — CID 120912684

IUPACN'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
SMILESCCCn1cc(CN(CCN)CCc2ccccc2)cn1.Cl
InChIInChI=1S/C17H26N4.ClH/c1-2-10-21-15-17(13-19-21)14-20(12-9-18)11-8-16-6-4-3-5-7-16;/h3-7,13,15H,2,8-12,14,18H2,1H3;1H
InChIKeyDFGYSNPSCOXJQN-UHFFFAOYSA-N
MW322.88 g/mol
LogP2.72
Rot. Bonds9

About N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride

N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride (PubChem CID 120912684) has the molecular formula C17H27ClN4 and a molecular weight of 322.88 g/mol. Its IUPAC name is N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
PubChem CID120912684
Molecular FormulaC17H27ClN4
Molecular Weight322.88 g/mol
Exact Mass322.19
IUPAC NameN'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
SMILESCCCn1cc(CN(CCN)CCc2ccccc2)cn1.Cl
InChIInChI=1S/C17H26N4.ClH/c1-2-10-21-15-17(13-19-21)14-20(12-9-18)11-8-16-6-4-3-5-7-16;/h3-7,13,15H,2,8-12,14,18H2,1H3;1H
InChIKeyDFGYSNPSCOXJQN-UHFFFAOYSA-N
XLogP2.72
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride 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'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390
N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912828
N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine
CID 62127234
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120913021
N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913006
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872506
N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 104869964
N'-[(1-methylbenzimidazol-5-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912918
N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 120912617
N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871608

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride (CID 120912684) is N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride is CCCn1cc(CN(CCN)CCc2ccccc2)cn1.Cl.
What is the InChIKey of N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride?
The InChIKey is DFGYSNPSCOXJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4.ClH/c1-2-10-21-15-17(13-19-21)14-20(12-9-18)11-8-16-6-4-3-5-7-16;/h3-7,13,15H,2,8-12,14,18H2,1H3;1H.
What are the key properties of N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride?
N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120912684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).