1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol

C7H9N3O3 — CID 67189200

IUPAC1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol
SMILESO=[N+]([O-])c1ccn(CC2(O)CC2)n1
InChIInChI=1S/C7H9N3O3/c11-7(2-3-7)5-9-4-1-6(8-9)10(12)13/h1,4,11H,2-3,5H2
InChIKeyYYICCBSLOVVVJZ-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.32
Rot. Bonds3

About 1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol

1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol (PubChem CID 67189200) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol
PubChem CID67189200
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol
SMILESO=[N+]([O-])c1ccn(CC2(O)CC2)n1
InChIInChI=1S/C7H9N3O3/c11-7(2-3-7)5-9-4-1-6(8-9)10(12)13/h1,4,11H,2-3,5H2
InChIKeyYYICCBSLOVVVJZ-UHFFFAOYSA-N
XLogP0.32
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.32
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-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol (CID 67189200) is 1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol is O=[N+]([O-])c1ccn(CC2(O)CC2)n1.
What is the InChIKey of 1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol?
The InChIKey is YYICCBSLOVVVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-7(2-3-7)5-9-4-1-6(8-9)10(12)13/h1,4,11H,2-3,5H2.
What are the key properties of 1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol?
1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol has a molecular weight of 183.17 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 67189200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).