4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol

C7H10N4O3 — CID 63705260

IUPAC4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1ccn(C2CNCC2O)n1
InChIInChI=1S/C7H10N4O3/c12-6-4-8-3-5(6)10-2-1-7(9-10)11(13)14/h1-2,5-6,8,12H,3-4H2
InChIKeyZBALLRCHNZPFFR-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.70
Rot. Bonds2

About 4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol

4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol (PubChem CID 63705260) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol
PubChem CID63705260
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1ccn(C2CNCC2O)n1
InChIInChI=1S/C7H10N4O3/c12-6-4-8-3-5(6)10-2-1-7(9-10)11(13)14/h1-2,5-6,8,12H,3-4H2
InChIKeyZBALLRCHNZPFFR-UHFFFAOYSA-N
XLogP-0.70
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3-nitropyrazol-1-yl)pyrrolidin-3-ol?
The IUPAC name of 4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol (CID 63705260) is 4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol?
The canonical SMILES for 4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol is O=[N+]([O-])c1ccn(C2CNCC2O)n1.
What is the InChIKey of 4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol?
The InChIKey is ZBALLRCHNZPFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c12-6-4-8-3-5(6)10-2-1-7(9-10)11(13)14/h1-2,5-6,8,12H,3-4H2.
What are the key properties of 4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol?
4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol has a molecular weight of 198.18 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitropyrazol-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 63705260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).