N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine

C15H21N5O2 — CID 120872506

IUPACN'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C15H21N5O2/c16-7-9-18(8-6-14-4-2-1-3-5-14)10-11-19-13-15(12-17-19)20(21)22/h1-5,12-13H,6-11,16H2
InChIKeyOHGAXWOAWNPWOP-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.29
Rot. Bonds9

About N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine

N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 120872506) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID120872506
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C15H21N5O2/c16-7-9-18(8-6-14-4-2-1-3-5-14)10-11-19-13-15(12-17-19)20(21)22/h1-5,12-13H,6-11,16H2
InChIKeyOHGAXWOAWNPWOP-UHFFFAOYSA-N
XLogP1.29
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine (CID 120872506) is N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine is NCCN(CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is OHGAXWOAWNPWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c16-7-9-18(8-6-14-4-2-1-3-5-14)10-11-19-13-15(12-17-19)20(21)22/h1-5,12-13H,6-11,16H2.
What are the key properties of N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 303.37 g/mol, XLogP of 1.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120872506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).