1-methyl-3,4-dinitropyrazol-5-amine

C4H5N5O4 — CID 131300891

IUPAC1-methyl-3,4-dinitropyrazol-5-amine
SMILESCn1nc([N+](=O)[O-])c([N+](=O)[O-])c1N
InChIInChI=1S/C4H5N5O4/c1-7-3(5)2(8(10)11)4(6-7)9(12)13/h5H2,1H3
InChIKeyDGHDJXULJVPDEG-UHFFFAOYSA-N
MW187.12 g/mol
LogP-0.18
Rot. Bonds2

About 1-methyl-3,4-dinitropyrazol-5-amine

1-methyl-3,4-dinitropyrazol-5-amine (PubChem CID 131300891) has the molecular formula C4H5N5O4 and a molecular weight of 187.12 g/mol. Its IUPAC name is 1-methyl-3,4-dinitropyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3,4-dinitropyrazol-5-amine
PubChem CID131300891
Molecular FormulaC4H5N5O4
Molecular Weight187.12 g/mol
Exact Mass187.03
IUPAC Name1-methyl-3,4-dinitropyrazol-5-amine
SMILESCn1nc([N+](=O)[O-])c([N+](=O)[O-])c1N
InChIInChI=1S/C4H5N5O4/c1-7-3(5)2(8(10)11)4(6-7)9(12)13/h5H2,1H3
InChIKeyDGHDJXULJVPDEG-UHFFFAOYSA-N
XLogP-0.18
TPSA130.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 5-0.18
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'}

Analyze 1-methyl-3,4-dinitropyrazol-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 1-methyl-3,4-dinitropyrazol-5-amine?
The IUPAC name of 1-methyl-3,4-dinitropyrazol-5-amine (CID 131300891) is 1-methyl-3,4-dinitropyrazol-5-amine.
What is the SMILES notation for 1-methyl-3,4-dinitropyrazol-5-amine?
The canonical SMILES for 1-methyl-3,4-dinitropyrazol-5-amine is Cn1nc([N+](=O)[O-])c([N+](=O)[O-])c1N.
What is the InChIKey of 1-methyl-3,4-dinitropyrazol-5-amine?
The InChIKey is DGHDJXULJVPDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O4/c1-7-3(5)2(8(10)11)4(6-7)9(12)13/h5H2,1H3.
What are the key properties of 1-methyl-3,4-dinitropyrazol-5-amine?
1-methyl-3,4-dinitropyrazol-5-amine has a molecular weight of 187.12 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dinitropyrazol-5-amine is sourced from PubChem (CID 131300891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).