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

C20H21ClFN5 — CID 155557142

IUPAC5-(2-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole
SMILESFc1ccc(C2CCCN2CCCn2nnc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H21ClFN5/c21-18-6-2-1-5-17(18)20-23-25-27(24-20)14-4-13-26-12-3-7-19(26)15-8-10-16(22)11-9-15/h1-2,5-6,8-11,19H,3-4,7,12-14H2
InChIKeyBFNSTAAQKPEMNS-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.36
Rot. Bonds6

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

5-(2-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole (PubChem CID 155557142) has the molecular formula C20H21ClFN5 and a molecular weight of 385.87 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole
PubChem CID155557142
Molecular FormulaC20H21ClFN5
Molecular Weight385.87 g/mol
Exact Mass385.15
IUPAC Name5-(2-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole
SMILESFc1ccc(C2CCCN2CCCn2nnc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H21ClFN5/c21-18-6-2-1-5-17(18)20-23-25-27(24-20)14-4-13-26-12-3-7-19(26)15-8-10-16(22)11-9-15/h1-2,5-6,8-11,19H,3-4,7,12-14H2
InChIKeyBFNSTAAQKPEMNS-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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Related Compounds

2-(2-chloro-4-fluorobenzyl)-5-(2-methylphenyl)-2H-tetrazole
CID 723279
2-(2-chloro-4-fluorobenzyl)-5-(4-fluorophenyl)-2H-tetrazole
CID 588845
2-(2-chlorobenzyl)-5-(4-fluorophenyl)-2H-tetrazole
CID 685751
2-[(2-Chlorophenyl)methyl]-5-phenyltetrazole
CID 856079
2-[3-[2-(4-Fluorophenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole
CID 155514117
2-[3-[2-(3-Methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole
CID 155516376
5-Phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole
CID 155536442
5-(4-Chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole
CID 155543850
5-(4-Chlorophenyl)-2-[3-[2-(4-chlorophenyl)pyrrolidin-1-yl]propyl]tetrazole
CID 155558636
2-(2-Chloro-benzyl)-5-(2-fluoro-phenyl)-2H-tetrazole
CID 580823
5-(2-chlorophenyl)-2-(4-fluorobenzyl)-2H-tetrazole
CID 723251
Cambridge id 6259090
CID 830999

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole?
The IUPAC name of 5-(2-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole (CID 155557142) is 5-(2-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole is Fc1ccc(C2CCCN2CCCn2nnc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole?
The InChIKey is BFNSTAAQKPEMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN5/c21-18-6-2-1-5-17(18)20-23-25-27(24-20)14-4-13-26-12-3-7-19(26)15-8-10-16(22)11-9-15/h1-2,5-6,8-11,19H,3-4,7,12-14H2.
What are the key properties of 5-(2-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole?
5-(2-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-(2-chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole is sourced from PubChem (CID 155557142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).