5-methyl-4-nitro-1H-pyrazol-3-amine

C4H6N4O2 — CID 12773552

IUPAC5-methyl-4-nitro-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C4H6N4O2/c1-2-3(8(9)10)4(5)7-6-2/h1H3,(H3,5,6,7)
InChIKeyORPMTJVASAKZCT-UHFFFAOYSA-N
MW142.12 g/mol
LogP0.21
Rot. Bonds1

About 5-methyl-4-nitro-1H-pyrazol-3-amine

5-methyl-4-nitro-1H-pyrazol-3-amine (PubChem CID 12773552) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 5-methyl-4-nitro-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-4-nitro-1H-pyrazol-3-amine
PubChem CID12773552
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name5-methyl-4-nitro-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C4H6N4O2/c1-2-3(8(9)10)4(5)7-6-2/h1H3,(H3,5,6,7)
InChIKeyORPMTJVASAKZCT-UHFFFAOYSA-N
XLogP0.21
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-methyl-4-nitro-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-4-nitro-1H-pyrazol-3-amine (CID 12773552) is 5-methyl-4-nitro-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-4-nitro-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-4-nitro-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-1H-pyrazol-3-amine?
The InChIKey is ORPMTJVASAKZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-2-3(8(9)10)4(5)7-6-2/h1H3,(H3,5,6,7).
What are the key properties of 5-methyl-4-nitro-1H-pyrazol-3-amine?
5-methyl-4-nitro-1H-pyrazol-3-amine has a molecular weight of 142.12 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-1H-pyrazol-3-amine is sourced from PubChem (CID 12773552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).