N,1-dimethyl-3,4-dinitropyrazol-5-amine

C5H7N5O4 — CID 131426046

IUPACN,1-dimethyl-3,4-dinitropyrazol-5-amine
SMILESCNc1c([N+](=O)[O-])c([N+](=O)[O-])nn1C
InChIInChI=1S/C5H7N5O4/c1-6-4-3(9(11)12)5(10(13)14)7-8(4)2/h6H,1-2H3
InChIKeyLUQFHIVTBYVLOI-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.28
Rot. Bonds3

About N,1-dimethyl-3,4-dinitropyrazol-5-amine

N,1-dimethyl-3,4-dinitropyrazol-5-amine (PubChem CID 131426046) has the molecular formula C5H7N5O4 and a molecular weight of 201.14 g/mol. Its IUPAC name is N,1-dimethyl-3,4-dinitropyrazol-5-amine.

Molecular Properties

Compound NameN,1-dimethyl-3,4-dinitropyrazol-5-amine
PubChem CID131426046
Molecular FormulaC5H7N5O4
Molecular Weight201.14 g/mol
Exact Mass201.05
IUPAC NameN,1-dimethyl-3,4-dinitropyrazol-5-amine
SMILESCNc1c([N+](=O)[O-])c([N+](=O)[O-])nn1C
InChIInChI=1S/C5H7N5O4/c1-6-4-3(9(11)12)5(10(13)14)7-8(4)2/h6H,1-2H3
InChIKeyLUQFHIVTBYVLOI-UHFFFAOYSA-N
XLogP0.28
TPSA116.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3,4-dinitropyrazol-5-amine?
The IUPAC name of N,1-dimethyl-3,4-dinitropyrazol-5-amine (CID 131426046) is N,1-dimethyl-3,4-dinitropyrazol-5-amine.
What is the SMILES notation for N,1-dimethyl-3,4-dinitropyrazol-5-amine?
The canonical SMILES for N,1-dimethyl-3,4-dinitropyrazol-5-amine is CNc1c([N+](=O)[O-])c([N+](=O)[O-])nn1C.
What is the InChIKey of N,1-dimethyl-3,4-dinitropyrazol-5-amine?
The InChIKey is LUQFHIVTBYVLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O4/c1-6-4-3(9(11)12)5(10(13)14)7-8(4)2/h6H,1-2H3.
What are the key properties of N,1-dimethyl-3,4-dinitropyrazol-5-amine?
N,1-dimethyl-3,4-dinitropyrazol-5-amine has a molecular weight of 201.14 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3,4-dinitropyrazol-5-amine is sourced from PubChem (CID 131426046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).