2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C14H23N5O4 — CID 3145049

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1nn(CC(=O)NCCCN2CCOCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H23N5O4/c1-11-14(19(21)22)12(2)18(16-11)10-13(20)15-4-3-5-17-6-8-23-9-7-17/h3-10H2,1-2H3,(H,15,20)
InChIKeyOFAXEKAGZRTWET-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.25
Rot. Bonds7

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 3145049) has the molecular formula C14H23N5O4 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID3145049
Molecular FormulaC14H23N5O4
Molecular Weight325.37 g/mol
Exact Mass325.18
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1nn(CC(=O)NCCCN2CCOCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H23N5O4/c1-11-14(19(21)22)12(2)18(16-11)10-13(20)15-4-3-5-17-6-8-23-9-7-17/h3-10H2,1-2H3,(H,15,20)
InChIKeyOFAXEKAGZRTWET-UHFFFAOYSA-N
XLogP0.25
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 3145049) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is Cc1nn(CC(=O)NCCCN2CCOCC2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is OFAXEKAGZRTWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O4/c1-11-14(19(21)22)12(2)18(16-11)10-13(20)15-4-3-5-17-6-8-23-9-7-17/h3-10H2,1-2H3,(H,15,20).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 3145049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).