4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole

C11H15N5O2 — CID 154229757

IUPAC4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole
SMILESO=[N+]([O-])c1cnn(CCCCCn2cccn2)c1
InChIInChI=1S/C11H15N5O2/c17-16(18)11-9-13-15(10-11)7-3-1-2-6-14-8-4-5-12-14/h4-5,8-10H,1-3,6-7H2
InChIKeyAIGMEGDSWLKWCN-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.86
Rot. Bonds7

About 4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole

4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole (PubChem CID 154229757) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole.

Molecular Properties

Compound Name4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole
PubChem CID154229757
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole
SMILESO=[N+]([O-])c1cnn(CCCCCn2cccn2)c1
InChIInChI=1S/C11H15N5O2/c17-16(18)11-9-13-15(10-11)7-3-1-2-6-14-8-4-5-12-14/h4-5,8-10H,1-3,6-7H2
InChIKeyAIGMEGDSWLKWCN-UHFFFAOYSA-N
XLogP1.86
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole 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

4-nitro-1-octylpyrazole
CID 50999936
1-butyl-4-nitropyrazole
CID 50999673
2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19564188
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
6-(4-nitropyrazol-1-yl)hexan-2-ol
CID 66928671
fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
CID 176710740
1-[4-(2-chlorophenoxy)butyl]-4-nitropyrazole
CID 50999725
4-(4-nitropyrazol-1-yl)-N-[(4-pyrrol-1-ylphenyl)methyl]butanamide
CID 5306206
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115597314
N-hexyl-2-(4-nitropyrazol-1-yl)acetamide
CID 17088517
N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 1259508

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole?
The IUPAC name of 4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole (CID 154229757) is 4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole.
What is the SMILES notation for 4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole?
The canonical SMILES for 4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole is O=[N+]([O-])c1cnn(CCCCCn2cccn2)c1.
What is the InChIKey of 4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole?
The InChIKey is AIGMEGDSWLKWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c17-16(18)11-9-13-15(10-11)7-3-1-2-6-14-8-4-5-12-14/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole?
4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole has a molecular weight of 249.27 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole is sourced from PubChem (CID 154229757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).