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

C20H21ClFN5 — CID 155543850

IUPAC5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole
SMILESFc1ccc(C2CCCN2CCCn2nnc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H21ClFN5/c21-17-8-4-16(5-9-17)20-23-25-27(24-20)14-2-13-26-12-1-3-19(26)15-6-10-18(22)11-7-15/h4-11,19H,1-3,12-14H2
InChIKeyJOQGMDIEPZSULE-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.36
Rot. Bonds6

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

5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole (PubChem CID 155543850) has the molecular formula C20H21ClFN5 and a molecular weight of 385.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole
PubChem CID155543850
Molecular FormulaC20H21ClFN5
Molecular Weight385.87 g/mol
Exact Mass385.15
IUPAC Name5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole
SMILESFc1ccc(C2CCCN2CCCn2nnc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H21ClFN5/c21-17-8-4-16(5-9-17)20-23-25-27(24-20)14-2-13-26-12-1-3-19(26)15-6-10-18(22)11-7-15/h4-11,19H,1-3,12-14H2
InChIKeyJOQGMDIEPZSULE-UHFFFAOYSA-N
XLogP4.36
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole (CID 155543850) is 5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole is Fc1ccc(C2CCCN2CCCn2nnc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole?
The InChIKey is JOQGMDIEPZSULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN5/c21-17-8-4-16(5-9-17)20-23-25-27(24-20)14-2-13-26-12-1-3-19(26)15-6-10-18(22)11-7-15/h4-11,19H,1-3,12-14H2.
What are the key properties of 5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole?
5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole has a molecular weight of 385.87 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole is sourced from PubChem (CID 155543850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).