3-nitro-1-pyrrolidin-3-ylpyrazole

C7H10N4O2 — CID 62327412

IUPAC3-nitro-1-pyrrolidin-3-ylpyrazole
SMILESO=[N+]([O-])c1ccn(C2CCNC2)n1
InChIInChI=1S/C7H10N4O2/c12-11(13)7-2-4-10(9-7)6-1-3-8-5-6/h2,4,6,8H,1,3,5H2
InChIKeyWASCVBXIYRUJEB-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.33
Rot. Bonds2

About 3-nitro-1-pyrrolidin-3-ylpyrazole

3-nitro-1-pyrrolidin-3-ylpyrazole (PubChem CID 62327412) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-nitro-1-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name3-nitro-1-pyrrolidin-3-ylpyrazole
PubChem CID62327412
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-nitro-1-pyrrolidin-3-ylpyrazole
SMILESO=[N+]([O-])c1ccn(C2CCNC2)n1
InChIInChI=1S/C7H10N4O2/c12-11(13)7-2-4-10(9-7)6-1-3-8-5-6/h2,4,6,8H,1,3,5H2
InChIKeyWASCVBXIYRUJEB-UHFFFAOYSA-N
XLogP0.33
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.33
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 3-nitro-1-pyrrolidin-3-ylpyrazole?
The IUPAC name of 3-nitro-1-pyrrolidin-3-ylpyrazole (CID 62327412) is 3-nitro-1-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 3-nitro-1-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 3-nitro-1-pyrrolidin-3-ylpyrazole is O=[N+]([O-])c1ccn(C2CCNC2)n1.
What is the InChIKey of 3-nitro-1-pyrrolidin-3-ylpyrazole?
The InChIKey is WASCVBXIYRUJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-11(13)7-2-4-10(9-7)6-1-3-8-5-6/h2,4,6,8H,1,3,5H2.
What are the key properties of 3-nitro-1-pyrrolidin-3-ylpyrazole?
3-nitro-1-pyrrolidin-3-ylpyrazole has a molecular weight of 182.18 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-1-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 62327412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).