1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine

C14H17N5O2 — CID 4767803

IUPAC1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine
SMILESO=[N+]([O-])c1cn[nH]c1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H17N5O2/c20-19(21)13-10-15-16-14(13)18-8-6-17(7-9-18)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,15,16)
InChIKeyUSZPSIDELHKNDI-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.64
Rot. Bonds4

About 1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine

1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine (PubChem CID 4767803) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine
PubChem CID4767803
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine
SMILESO=[N+]([O-])c1cn[nH]c1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H17N5O2/c20-19(21)13-10-15-16-14(13)18-8-6-17(7-9-18)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,15,16)
InChIKeyUSZPSIDELHKNDI-UHFFFAOYSA-N
XLogP1.64
TPSA78.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
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 1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine 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-5-pyrrolidin-1-yl-1H-pyrazole
CID 134452939
1-benzyl-4-(2-nitrophenyl)piperazine
CID 518171
1-benzyl-4-(4-nitro-3-pyridinyl)piperazine
CID 71651530
5-(4-benzylpiperazin-1-yl)-8-nitroisoquinoline
CID 17487002
1-benzyl-4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazine
CID 168512953
1-benzyl-4-(5-nitrothiophen-2-yl)piperazine
CID 4109638
4-(4-benzylpiperazin-1-yl)-5-nitro-1H-pyrimidin-6-one
CID 135817338
1-benzyl-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine
CID 1376883
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
N-(1-benzylpyrazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19395735
(4-benzylpiperazin-1-yl)-(2-nitrophenyl)methanone;hydrochloride
CID 171150760
4-(4-benzylpiperazin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 9187044

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine?
The IUPAC name of 1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine (CID 4767803) is 1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine.
What is the SMILES notation for 1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine?
The canonical SMILES for 1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine is O=[N+]([O-])c1cn[nH]c1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine?
The InChIKey is USZPSIDELHKNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-19(21)13-10-15-16-14(13)18-8-6-17(7-9-18)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,15,16).
What are the key properties of 1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine?
1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine has a molecular weight of 287.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-nitro-1H-pyrazol-5-yl)piperazine is sourced from PubChem (CID 4767803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).