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

C8H15N5O2 — CID 62686664

IUPACN'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine
SMILESCc1nn(C)c(N(C)CCN)c1[N+](=O)[O-]
InChIInChI=1S/C8H15N5O2/c1-6-7(13(14)15)8(12(3)10-6)11(2)5-4-9/h4-5,9H2,1-3H3
InChIKeyFYGPMESTPKRCKT-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.03
Rot. Bonds4

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

N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine (PubChem CID 62686664) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine
PubChem CID62686664
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC NameN'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine
SMILESCc1nn(C)c(N(C)CCN)c1[N+](=O)[O-]
InChIInChI=1S/C8H15N5O2/c1-6-7(13(14)15)8(12(3)10-6)11(2)5-4-9/h4-5,9H2,1-3H3
InChIKeyFYGPMESTPKRCKT-UHFFFAOYSA-N
XLogP0.03
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.03
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'}

Analyze N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine 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,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine
CID 133276802
N,1,3-trimethyl-4-nitro-N-(3-phenoxypropyl)pyrazol-5-amine
CID 60503568
N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine
CID 103554965
N-[(4-chloro-2-pyridinyl)methyl]-N,1,3-trimethyl-4-nitropyrazol-5-amine
CID 154784255
2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
CID 61448439
N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine
CID 134090774
N',2,2-trimethyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)propane-1,3-diamine
CID 79659885
4-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79117680
4-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-N-ethylcyclohexane-1,4-diamine
CID 79111620
1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine
CID 130557665
methyl 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957493
2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol
CID 66019201

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine (CID 62686664) is N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine is Cc1nn(C)c(N(C)CCN)c1[N+](=O)[O-].
What is the InChIKey of N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine?
The InChIKey is FYGPMESTPKRCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-6-7(13(14)15)8(12(3)10-6)11(2)5-4-9/h4-5,9H2,1-3H3.
What are the key properties of N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine?
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine has a molecular weight of 213.24 g/mol, XLogP of 0.03, 4 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'-methylethane-1,2-diamine is sourced from PubChem (CID 62686664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).