N,1-dimethyl-4-nitropyrazole-5-carboxamide

C6H8N4O3 — CID 19478540

IUPACN,1-dimethyl-4-nitropyrazole-5-carboxamide
SMILESCNC(=O)c1c([N+](=O)[O-])cnn1C
InChIInChI=1S/C6H8N4O3/c1-7-6(11)5-4(10(12)13)3-8-9(5)2/h3H,1-2H3,(H,7,11)
InChIKeyLHJUXFFCCQBYRE-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.31
Rot. Bonds2

About N,1-dimethyl-4-nitropyrazole-5-carboxamide

N,1-dimethyl-4-nitropyrazole-5-carboxamide (PubChem CID 19478540) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is N,1-dimethyl-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-nitropyrazole-5-carboxamide
PubChem CID19478540
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC NameN,1-dimethyl-4-nitropyrazole-5-carboxamide
SMILESCNC(=O)c1c([N+](=O)[O-])cnn1C
InChIInChI=1S/C6H8N4O3/c1-7-6(11)5-4(10(12)13)3-8-9(5)2/h3H,1-2H3,(H,7,11)
InChIKeyLHJUXFFCCQBYRE-UHFFFAOYSA-N
XLogP-0.31
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.31
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 N,1-dimethyl-4-nitropyrazole-5-carboxamide 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,1-dimethyl-4-nitropyrazole-5-carboxamide?
The IUPAC name of N,1-dimethyl-4-nitropyrazole-5-carboxamide (CID 19478540) is N,1-dimethyl-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-nitropyrazole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-4-nitropyrazole-5-carboxamide is CNC(=O)c1c([N+](=O)[O-])cnn1C.
What is the InChIKey of N,1-dimethyl-4-nitropyrazole-5-carboxamide?
The InChIKey is LHJUXFFCCQBYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-7-6(11)5-4(10(12)13)3-8-9(5)2/h3H,1-2H3,(H,7,11).
What are the key properties of N,1-dimethyl-4-nitropyrazole-5-carboxamide?
N,1-dimethyl-4-nitropyrazole-5-carboxamide has a molecular weight of 184.16 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 19478540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).