2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride

C5H9ClN4O2 — CID 71756606

IUPAC2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride
SMILESCl.NCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C5H8N4O2.ClH/c6-1-2-8-4-5(3-7-8)9(10)11;/h3-4H,1-2,6H2;1H
InChIKeyBUVNXDJFXYSHCE-UHFFFAOYSA-N
MW192.61 g/mol
LogP0.17
Rot. Bonds3

About 2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride

2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride (PubChem CID 71756606) has the molecular formula C5H9ClN4O2 and a molecular weight of 192.61 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride
PubChem CID71756606
Molecular FormulaC5H9ClN4O2
Molecular Weight192.61 g/mol
Exact Mass192.04
IUPAC Name2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride
SMILESCl.NCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C5H8N4O2.ClH/c6-1-2-8-4-5(3-7-8)9(10)11;/h3-4H,1-2,6H2;1H
InChIKeyBUVNXDJFXYSHCE-UHFFFAOYSA-N
XLogP0.17
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 50.17
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 2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride (CID 71756606) is 2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride is Cl.NCCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride?
The InChIKey is BUVNXDJFXYSHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2.ClH/c6-1-2-8-4-5(3-7-8)9(10)11;/h3-4H,1-2,6H2;1H.
What are the key properties of 2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride?
2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride has a molecular weight of 192.61 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71756606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).