N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

C20H26ClN5 — CID 120912549

IUPACN'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCc1nn(-c2ccncc2)cc1CN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C20H25N5.ClH/c1-17-19(16-25(23-17)20-7-11-22-12-8-20)15-24(14-10-21)13-9-18-5-3-2-4-6-18;/h2-8,11-12,16H,9-10,13-15,21H2,1H3;1H
InChIKeyQAUZDWRDARBXGE-UHFFFAOYSA-N
MW371.92 g/mol
LogP3.00
Rot. Bonds8

About N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 120912549) has the molecular formula C20H26ClN5 and a molecular weight of 371.92 g/mol. Its IUPAC name is N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
PubChem CID120912549
Molecular FormulaC20H26ClN5
Molecular Weight371.92 g/mol
Exact Mass371.19
IUPAC NameN'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCc1nn(-c2ccncc2)cc1CN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C20H25N5.ClH/c1-17-19(16-25(23-17)20-7-11-22-12-8-20)15-24(14-10-21)13-9-18-5-3-2-4-6-18;/h2-8,11-12,16H,9-10,13-15,21H2,1H3;1H
InChIKeyQAUZDWRDARBXGE-UHFFFAOYSA-N
XLogP3.00
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.92
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (CID 120912549) is N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is Cc1nn(-c2ccncc2)cc1CN(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is QAUZDWRDARBXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5.ClH/c1-17-19(16-25(23-17)20-7-11-22-12-8-20)15-24(14-10-21)13-9-18-5-3-2-4-6-18;/h2-8,11-12,16H,9-10,13-15,21H2,1H3;1H.
What are the key properties of N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 371.92 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120912549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).