5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine

C10H10FN5O2 — CID 154969225

IUPAC5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cnn2ccc(N3CCC(F)C3)nc12
InChIInChI=1S/C10H10FN5O2/c11-7-1-3-14(6-7)9-2-4-15-10(13-9)8(5-12-15)16(17)18/h2,4-5,7H,1,3,6H2
InChIKeyGWYRVZXUSTUPBB-UHFFFAOYSA-N
MW251.22 g/mol
LogP1.19
Rot. Bonds2

About 5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine

5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine (PubChem CID 154969225) has the molecular formula C10H10FN5O2 and a molecular weight of 251.22 g/mol. Its IUPAC name is 5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine
PubChem CID154969225
Molecular FormulaC10H10FN5O2
Molecular Weight251.22 g/mol
Exact Mass251.08
IUPAC Name5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cnn2ccc(N3CCC(F)C3)nc12
InChIInChI=1S/C10H10FN5O2/c11-7-1-3-14(6-7)9-2-4-15-10(13-9)8(5-12-15)16(17)18/h2,4-5,7H,1,3,6H2
InChIKeyGWYRVZXUSTUPBB-UHFFFAOYSA-N
XLogP1.19
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 51.19
H-Bond Donors ≤ 50
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 5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine (CID 154969225) is 5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine is O=[N+]([O-])c1cnn2ccc(N3CCC(F)C3)nc12.
What is the InChIKey of 5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine?
The InChIKey is GWYRVZXUSTUPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O2/c11-7-1-3-14(6-7)9-2-4-15-10(13-9)8(5-12-15)16(17)18/h2,4-5,7H,1,3,6H2.
What are the key properties of 5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine?
5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine has a molecular weight of 251.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 154969225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).