3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole

C10H15BrN4O2 — CID 71163274

IUPAC3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole
SMILESCCCn1nc(Br)c([N+](=O)[O-])c1N1CCCC1
InChIInChI=1S/C10H15BrN4O2/c1-2-5-14-10(13-6-3-4-7-13)8(15(16)17)9(11)12-14/h2-7H2,1H3
InChIKeyINOGFAABWWMMOC-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.56
Rot. Bonds4

About 3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole

3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole (PubChem CID 71163274) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole.

Molecular Properties

Compound Name3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole
PubChem CID71163274
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole
SMILESCCCn1nc(Br)c([N+](=O)[O-])c1N1CCCC1
InChIInChI=1S/C10H15BrN4O2/c1-2-5-14-10(13-6-3-4-7-13)8(15(16)17)9(11)12-14/h2-7H2,1H3
InChIKeyINOGFAABWWMMOC-UHFFFAOYSA-N
XLogP2.56
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole 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 3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole?
The IUPAC name of 3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole (CID 71163274) is 3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole.
What is the SMILES notation for 3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole?
The canonical SMILES for 3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole is CCCn1nc(Br)c([N+](=O)[O-])c1N1CCCC1.
What is the InChIKey of 3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole?
The InChIKey is INOGFAABWWMMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-2-5-14-10(13-6-3-4-7-13)8(15(16)17)9(11)12-14/h2-7H2,1H3.
What are the key properties of 3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole?
3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole has a molecular weight of 303.16 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-nitro-1-propyl-5-pyrrolidin-1-ylpyrazole is sourced from PubChem (CID 71163274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).