5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole

C9H15FN6 — CID 141111944

IUPAC5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole
SMILESFC1CC(c2nn[nH]n2)NN1C1CCCC1
InChIInChI=1S/C9H15FN6/c10-8-5-7(9-11-14-15-12-9)13-16(8)6-3-1-2-4-6/h6-8,13H,1-5H2,(H,11,12,14,15)
InChIKeyVDADMJGMBVABFM-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.69
Rot. Bonds2

About 5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole

5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole (PubChem CID 141111944) has the molecular formula C9H15FN6 and a molecular weight of 226.26 g/mol. Its IUPAC name is 5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole
PubChem CID141111944
Molecular FormulaC9H15FN6
Molecular Weight226.26 g/mol
Exact Mass226.13
IUPAC Name5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole
SMILESFC1CC(c2nn[nH]n2)NN1C1CCCC1
InChIInChI=1S/C9H15FN6/c10-8-5-7(9-11-14-15-12-9)13-16(8)6-3-1-2-4-6/h6-8,13H,1-5H2,(H,11,12,14,15)
InChIKeyVDADMJGMBVABFM-UHFFFAOYSA-N
XLogP0.69
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole?
The IUPAC name of 5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole (CID 141111944) is 5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole.
What is the SMILES notation for 5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole?
The canonical SMILES for 5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole is FC1CC(c2nn[nH]n2)NN1C1CCCC1.
What is the InChIKey of 5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole?
The InChIKey is VDADMJGMBVABFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN6/c10-8-5-7(9-11-14-15-12-9)13-16(8)6-3-1-2-4-6/h6-8,13H,1-5H2,(H,11,12,14,15).
What are the key properties of 5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole?
5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole has a molecular weight of 226.26 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole is sourced from PubChem (CID 141111944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).