2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole

C20H22FN5 — CID 155514117

IUPAC2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole
SMILESFc1ccc(C2CCCN2CCCn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H22FN5/c21-18-11-9-16(10-12-18)19-8-4-13-25(19)14-5-15-26-23-20(22-24-26)17-6-2-1-3-7-17/h1-3,6-7,9-12,19H,4-5,8,13-15H2
InChIKeyHCBIAUDKSCASKS-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.71
Rot. Bonds6

About 2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole

2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole (PubChem CID 155514117) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole
PubChem CID155514117
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole
SMILESFc1ccc(C2CCCN2CCCn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H22FN5/c21-18-11-9-16(10-12-18)19-8-4-13-25(19)14-5-15-26-23-20(22-24-26)17-6-2-1-3-7-17/h1-3,6-7,9-12,19H,4-5,8,13-15H2
InChIKeyHCBIAUDKSCASKS-UHFFFAOYSA-N
XLogP3.71
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole?
The IUPAC name of 2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole (CID 155514117) is 2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole?
The canonical SMILES for 2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole is Fc1ccc(C2CCCN2CCCn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole?
The InChIKey is HCBIAUDKSCASKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c21-18-11-9-16(10-12-18)19-8-4-13-25(19)14-5-15-26-23-20(22-24-26)17-6-2-1-3-7-17/h1-3,6-7,9-12,19H,4-5,8,13-15H2.
What are the key properties of 2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole?
2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole has a molecular weight of 351.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole is sourced from PubChem (CID 155514117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).