1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole

C17H22ClN5 — CID 30617981

IUPAC1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole
SMILESCc1ccc(Cl)cc1-n1nnnc1C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H22ClN5/c1-13-6-7-14(18)12-15(13)23-16(19-20-21-23)17(8-2-3-9-17)22-10-4-5-11-22/h6-7,12H,2-5,8-11H2,1H3
InChIKeyDHNVWZFYVSWOPL-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.49
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole

1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole (PubChem CID 30617981) has the molecular formula C17H22ClN5 and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole
PubChem CID30617981
Molecular FormulaC17H22ClN5
Molecular Weight331.85 g/mol
Exact Mass331.16
IUPAC Name1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole
SMILESCc1ccc(Cl)cc1-n1nnnc1C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H22ClN5/c1-13-6-7-14(18)12-15(13)23-16(19-20-21-23)17(8-2-3-9-17)22-10-4-5-11-22/h6-7,12H,2-5,8-11H2,1H3
InChIKeyDHNVWZFYVSWOPL-UHFFFAOYSA-N
XLogP3.49
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole (CID 30617981) is 1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole is Cc1ccc(Cl)cc1-n1nnnc1C1(N2CCCC2)CCCC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole?
The InChIKey is DHNVWZFYVSWOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5/c1-13-6-7-14(18)12-15(13)23-16(19-20-21-23)17(8-2-3-9-17)22-10-4-5-11-22/h6-7,12H,2-5,8-11H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole?
1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole has a molecular weight of 331.85 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole is sourced from PubChem (CID 30617981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).