4-nitro-1-propylpyrazol-3-amine

C6H10N4O2 — CID 122604128

IUPAC4-nitro-1-propylpyrazol-3-amine
SMILESCCCn1cc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C6H10N4O2/c1-2-3-9-4-5(10(11)12)6(7)8-9/h4H,2-3H2,1H3,(H2,7,8)
InChIKeyHLZGUYZINLPGDY-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.78
Rot. Bonds3

About 4-nitro-1-propylpyrazol-3-amine

4-nitro-1-propylpyrazol-3-amine (PubChem CID 122604128) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-nitro-1-propylpyrazol-3-amine.

Molecular Properties

Compound Name4-nitro-1-propylpyrazol-3-amine
PubChem CID122604128
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name4-nitro-1-propylpyrazol-3-amine
SMILESCCCn1cc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C6H10N4O2/c1-2-3-9-4-5(10(11)12)6(7)8-9/h4H,2-3H2,1H3,(H2,7,8)
InChIKeyHLZGUYZINLPGDY-UHFFFAOYSA-N
XLogP0.78
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.78
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 4-nitro-1-propylpyrazol-3-amine?
The IUPAC name of 4-nitro-1-propylpyrazol-3-amine (CID 122604128) is 4-nitro-1-propylpyrazol-3-amine.
What is the SMILES notation for 4-nitro-1-propylpyrazol-3-amine?
The canonical SMILES for 4-nitro-1-propylpyrazol-3-amine is CCCn1cc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 4-nitro-1-propylpyrazol-3-amine?
The InChIKey is HLZGUYZINLPGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-2-3-9-4-5(10(11)12)6(7)8-9/h4H,2-3H2,1H3,(H2,7,8).
What are the key properties of 4-nitro-1-propylpyrazol-3-amine?
4-nitro-1-propylpyrazol-3-amine has a molecular weight of 170.17 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-propylpyrazol-3-amine is sourced from PubChem (CID 122604128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).