1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine

C12H21N5O3 — CID 94190299

IUPAC1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NC[C@@H](C)N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H21N5O3/c1-9(16-4-6-20-7-5-16)8-13-12-11(17(18)19)10(2)14-15(12)3/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyQXJDIDLOTKXOGZ-SECBINFHSA-N
MW283.33 g/mol
LogP0.77
Rot. Bonds5

About 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine

1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine (PubChem CID 94190299) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine
PubChem CID94190299
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NC[C@@H](C)N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H21N5O3/c1-9(16-4-6-20-7-5-16)8-13-12-11(17(18)19)10(2)14-15(12)3/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyQXJDIDLOTKXOGZ-SECBINFHSA-N
XLogP0.77
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.77
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 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine (CID 94190299) is 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine is Cc1nn(C)c(NC[C@@H](C)N2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine?
The InChIKey is QXJDIDLOTKXOGZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-9(16-4-6-20-7-5-16)8-13-12-11(17(18)19)10(2)14-15(12)3/h9,13H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine?
1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine has a molecular weight of 283.33 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine is sourced from PubChem (CID 94190299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).