1,3-dimethyl-4-nitropyrazol-5-amine

C5H8N4O2 — CID 2735324

IUPAC1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C5H8N4O2/c1-3-4(9(10)11)5(6)8(2)7-3/h6H2,1-2H3
InChIKeyBSUSGJKEVOQESO-UHFFFAOYSA-N
MW156.15 g/mol
LogP0.22
Rot. Bonds1

About 1,3-dimethyl-4-nitropyrazol-5-amine

1,3-dimethyl-4-nitropyrazol-5-amine (PubChem CID 2735324) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 1,3-dimethyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-nitropyrazol-5-amine
PubChem CID2735324
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C5H8N4O2/c1-3-4(9(10)11)5(6)8(2)7-3/h6H2,1-2H3
InChIKeyBSUSGJKEVOQESO-UHFFFAOYSA-N
XLogP0.22
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 50.22
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-nitropyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-nitropyrazol-5-amine (CID 2735324) is 1,3-dimethyl-4-nitropyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-nitropyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-nitropyrazol-5-amine is Cc1nn(C)c(N)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-4-nitropyrazol-5-amine?
The InChIKey is BSUSGJKEVOQESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-3-4(9(10)11)5(6)8(2)7-3/h6H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-nitropyrazol-5-amine?
1,3-dimethyl-4-nitropyrazol-5-amine has a molecular weight of 156.15 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 2735324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).