1-(5-nitropyrazol-1-yl)propan-2-ol

C6H9N3O3 — CID 130667078

IUPAC1-(5-nitropyrazol-1-yl)propan-2-ol
SMILESCC(O)Cn1nccc1[N+](=O)[O-]
InChIInChI=1S/C6H9N3O3/c1-5(10)4-8-6(9(11)12)2-3-7-8/h2-3,5,10H,4H2,1H3
InChIKeyPMBOQLCOURUYOW-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.17
Rot. Bonds3

About 1-(5-nitropyrazol-1-yl)propan-2-ol

1-(5-nitropyrazol-1-yl)propan-2-ol (PubChem CID 130667078) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 1-(5-nitropyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-nitropyrazol-1-yl)propan-2-ol
PubChem CID130667078
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name1-(5-nitropyrazol-1-yl)propan-2-ol
SMILESCC(O)Cn1nccc1[N+](=O)[O-]
InChIInChI=1S/C6H9N3O3/c1-5(10)4-8-6(9(11)12)2-3-7-8/h2-3,5,10H,4H2,1H3
InChIKeyPMBOQLCOURUYOW-UHFFFAOYSA-N
XLogP0.17
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
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 1-(5-nitropyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(5-nitropyrazol-1-yl)propan-2-ol (CID 130667078) is 1-(5-nitropyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(5-nitropyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(5-nitropyrazol-1-yl)propan-2-ol is CC(O)Cn1nccc1[N+](=O)[O-].
What is the InChIKey of 1-(5-nitropyrazol-1-yl)propan-2-ol?
The InChIKey is PMBOQLCOURUYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-5(10)4-8-6(9(11)12)2-3-7-8/h2-3,5,10H,4H2,1H3.
What are the key properties of 1-(5-nitropyrazol-1-yl)propan-2-ol?
1-(5-nitropyrazol-1-yl)propan-2-ol has a molecular weight of 171.16 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 1-(5-nitropyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 130667078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).