N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine

C8H8FN5O2 — CID 169086675

IUPACN-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine
SMILESO=[N+]([O-])c1cnn2ccc(NCCF)nc12
InChIInChI=1S/C8H8FN5O2/c9-2-3-10-7-1-4-13-8(12-7)6(5-11-13)14(15)16/h1,4-5H,2-3H2,(H,10,12)
InChIKeyRCBHBRQDNMOXPH-UHFFFAOYSA-N
MW225.18 g/mol
LogP1.02
Rot. Bonds4

About N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine

N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 169086675) has the molecular formula C8H8FN5O2 and a molecular weight of 225.18 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID169086675
Molecular FormulaC8H8FN5O2
Molecular Weight225.18 g/mol
Exact Mass225.07
IUPAC NameN-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine
SMILESO=[N+]([O-])c1cnn2ccc(NCCF)nc12
InChIInChI=1S/C8H8FN5O2/c9-2-3-10-7-1-4-13-8(12-7)6(5-11-13)14(15)16/h1,4-5H,2-3H2,(H,10,12)
InChIKeyRCBHBRQDNMOXPH-UHFFFAOYSA-N
XLogP1.02
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
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 N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine (CID 169086675) is N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine is O=[N+]([O-])c1cnn2ccc(NCCF)nc12.
What is the InChIKey of N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is RCBHBRQDNMOXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5O2/c9-2-3-10-7-1-4-13-8(12-7)6(5-11-13)14(15)16/h1,4-5H,2-3H2,(H,10,12).
What are the key properties of N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine?
N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 225.18 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 169086675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).