1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine

C11H19N5O3 — CID 103079679

IUPAC1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(NCCCN2CCOCC2)n1
InChIInChI=1S/C11H19N5O3/c1-14-9-10(16(17)18)11(13-14)12-3-2-4-15-5-7-19-8-6-15/h9H,2-8H2,1H3,(H,12,13)
InChIKeyCMHJVLNBPTZETR-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.46
Rot. Bonds6

About 1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine

1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine (PubChem CID 103079679) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine
PubChem CID103079679
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(NCCCN2CCOCC2)n1
InChIInChI=1S/C11H19N5O3/c1-14-9-10(16(17)18)11(13-14)12-3-2-4-15-5-7-19-8-6-15/h9H,2-8H2,1H3,(H,12,13)
InChIKeyCMHJVLNBPTZETR-UHFFFAOYSA-N
XLogP0.46
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine 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

3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103080086
N-ethyl-N'-(1-methyl-4-nitropyrazol-3-yl)propane-1,3-diamine
CID 103080213
5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol
CID 107318026
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79173434
4-[(1-methyl-4-nitropyrazol-3-yl)amino]butanamide
CID 103079719
3-bromo-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-4-amine
CID 84592604
1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine
CID 103080049
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
3-bromo-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79534604
4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine
CID 23852668
6-(3-morpholin-4-ylpropylamino)-3-nitropyridine-2-carbonitrile
CID 103471217

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine?
The IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine (CID 103079679) is 1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine is Cn1cc([N+](=O)[O-])c(NCCCN2CCOCC2)n1.
What is the InChIKey of 1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine?
The InChIKey is CMHJVLNBPTZETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-14-9-10(16(17)18)11(13-14)12-3-2-4-15-5-7-19-8-6-15/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine?
1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine has a molecular weight of 269.30 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine is sourced from PubChem (CID 103079679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).