N,N-dimethyl-4-nitro-1H-pyrazol-5-amine

C5H8N4O2 — CID 140769720

IUPACN,N-dimethyl-4-nitro-1H-pyrazol-5-amine
SMILESCN(C)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C5H8N4O2/c1-8(2)5-4(9(10)11)3-6-7-5/h3H,1-2H3,(H,6,7)
InChIKeyXUYAXEJVZBUAOZ-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.38
Rot. Bonds2

About N,N-dimethyl-4-nitro-1H-pyrazol-5-amine

N,N-dimethyl-4-nitro-1H-pyrazol-5-amine (PubChem CID 140769720) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is N,N-dimethyl-4-nitro-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-nitro-1H-pyrazol-5-amine
PubChem CID140769720
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC NameN,N-dimethyl-4-nitro-1H-pyrazol-5-amine
SMILESCN(C)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C5H8N4O2/c1-8(2)5-4(9(10)11)3-6-7-5/h3H,1-2H3,(H,6,7)
InChIKeyXUYAXEJVZBUAOZ-UHFFFAOYSA-N
XLogP0.38
TPSA75.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-nitro-1H-pyrazol-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 N,N-dimethyl-4-nitro-1H-pyrazol-5-amine?
The IUPAC name of N,N-dimethyl-4-nitro-1H-pyrazol-5-amine (CID 140769720) is N,N-dimethyl-4-nitro-1H-pyrazol-5-amine.
What is the SMILES notation for N,N-dimethyl-4-nitro-1H-pyrazol-5-amine?
The canonical SMILES for N,N-dimethyl-4-nitro-1H-pyrazol-5-amine is CN(C)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-4-nitro-1H-pyrazol-5-amine?
The InChIKey is XUYAXEJVZBUAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-8(2)5-4(9(10)11)3-6-7-5/h3H,1-2H3,(H,6,7).
What are the key properties of N,N-dimethyl-4-nitro-1H-pyrazol-5-amine?
N,N-dimethyl-4-nitro-1H-pyrazol-5-amine has a molecular weight of 156.14 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-nitro-1H-pyrazol-5-amine is sourced from PubChem (CID 140769720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).