N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine

C11H21N5O2 — CID 43554201

IUPACN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1c([N+](=O)[O-])c(C)nn1C
InChIInChI=1S/C11H21N5O2/c1-5-15(6-2)8-7-12-11-10(16(17)18)9(3)13-14(11)4/h12H,5-8H2,1-4H3
InChIKeyNTVFAZRFGIJPKH-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.39
Rot. Bonds7

About N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine

N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 43554201) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID43554201
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC NameN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1c([N+](=O)[O-])c(C)nn1C
InChIInChI=1S/C11H21N5O2/c1-5-15(6-2)8-7-12-11-10(16(17)18)9(3)13-14(11)4/h12H,5-8H2,1-4H3
InChIKeyNTVFAZRFGIJPKH-UHFFFAOYSA-N
XLogP1.39
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.39
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-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine (CID 43554201) is N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1c([N+](=O)[O-])c(C)nn1C.
What is the InChIKey of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is NTVFAZRFGIJPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-5-15(6-2)8-7-12-11-10(16(17)18)9(3)13-14(11)4/h12H,5-8H2,1-4H3.
What are the key properties of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine?
N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 255.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 43554201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).