1-methyl-4-nitropyrazole-3,5-diamine

C4H7N5O2 — CID 11378636

IUPAC1-methyl-4-nitropyrazole-3,5-diamine
SMILESCn1nc(N)c([N+](=O)[O-])c1N
InChIInChI=1S/C4H7N5O2/c1-8-4(6)2(9(10)11)3(5)7-8/h6H2,1H3,(H2,5,7)
InChIKeyOJRAXHSUWXRJLS-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.51
Rot. Bonds1

About 1-methyl-4-nitropyrazole-3,5-diamine

1-methyl-4-nitropyrazole-3,5-diamine (PubChem CID 11378636) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is 1-methyl-4-nitropyrazole-3,5-diamine.

Molecular Properties

Compound Name1-methyl-4-nitropyrazole-3,5-diamine
PubChem CID11378636
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC Name1-methyl-4-nitropyrazole-3,5-diamine
SMILESCn1nc(N)c([N+](=O)[O-])c1N
InChIInChI=1S/C4H7N5O2/c1-8-4(6)2(9(10)11)3(5)7-8/h6H2,1H3,(H2,5,7)
InChIKeyOJRAXHSUWXRJLS-UHFFFAOYSA-N
XLogP-0.51
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-4-nitropyrazole-3,5-diamine?
The IUPAC name of 1-methyl-4-nitropyrazole-3,5-diamine (CID 11378636) is 1-methyl-4-nitropyrazole-3,5-diamine.
What is the SMILES notation for 1-methyl-4-nitropyrazole-3,5-diamine?
The canonical SMILES for 1-methyl-4-nitropyrazole-3,5-diamine is Cn1nc(N)c([N+](=O)[O-])c1N.
What is the InChIKey of 1-methyl-4-nitropyrazole-3,5-diamine?
The InChIKey is OJRAXHSUWXRJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c1-8-4(6)2(9(10)11)3(5)7-8/h6H2,1H3,(H2,5,7).
What are the key properties of 1-methyl-4-nitropyrazole-3,5-diamine?
1-methyl-4-nitropyrazole-3,5-diamine has a molecular weight of 157.13 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitropyrazole-3,5-diamine is sourced from PubChem (CID 11378636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).