N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine

C13H25N5O3 — CID 66019622

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine
SMILESCCCc1nn(C)c(NCCN(C)CCOC)c1[N+](=O)[O-]
InChIInChI=1S/C13H25N5O3/c1-5-6-11-12(18(19)20)13(17(3)15-11)14-7-8-16(2)9-10-21-4/h14H,5-10H2,1-4H3
InChIKeyOLYWQKXJOXSTIU-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.27
Rot. Bonds10

About N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine (PubChem CID 66019622) has the molecular formula C13H25N5O3 and a molecular weight of 299.38 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine
PubChem CID66019622
Molecular FormulaC13H25N5O3
Molecular Weight299.38 g/mol
Exact Mass299.20
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine
SMILESCCCc1nn(C)c(NCCN(C)CCOC)c1[N+](=O)[O-]
InChIInChI=1S/C13H25N5O3/c1-5-6-11-12(18(19)20)13(17(3)15-11)14-7-8-16(2)9-10-21-4/h14H,5-10H2,1-4H3
InChIKeyOLYWQKXJOXSTIU-UHFFFAOYSA-N
XLogP1.27
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-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-(2-methoxyethyl)-N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine
CID 83029449
N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66016680
2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
CID 66017659
N-(2-butoxyethyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66019608
N-(2-cyclopropylethyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66018276
1-methyl-4-nitro-N-[(E)-pent-3-enyl]-3-propylpyrazol-5-amine
CID 113465741
1-methyl-N-(3-methylbut-2-enyl)-4-nitro-3-propylpyrazol-5-amine
CID 106191284
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 105419128
N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 106177696
1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine
CID 66019067
N,2-dimethyl-N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,3-diamine
CID 115302974
N-ethyl-N'-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
CID 66015428

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine (CID 66019622) is N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine is CCCc1nn(C)c(NCCN(C)CCOC)c1[N+](=O)[O-].
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine?
The InChIKey is OLYWQKXJOXSTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O3/c1-5-6-11-12(18(19)20)13(17(3)15-11)14-7-8-16(2)9-10-21-4/h14H,5-10H2,1-4H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine has a molecular weight of 299.38 g/mol, XLogP of 1.27, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 66019622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).