1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole

C20H22N4O — CID 16721111

IUPAC1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole
SMILESCOc1ccc(CCn2nnnc2C2(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-15-3-7-17(8-4-15)20(12-13-20)19-21-22-23-24(19)14-11-16-5-9-18(25-2)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyVREPWWBWXVLSEF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.31
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole

1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole (PubChem CID 16721111) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole
PubChem CID16721111
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole
SMILESCOc1ccc(CCn2nnnc2C2(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-15-3-7-17(8-4-15)20(12-13-20)19-21-22-23-24(19)14-11-16-5-9-18(25-2)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyVREPWWBWXVLSEF-UHFFFAOYSA-N
XLogP3.31
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole (CID 16721111) is 1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole is COc1ccc(CCn2nnnc2C2(c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole?
The InChIKey is VREPWWBWXVLSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-3-7-17(8-4-15)20(12-13-20)19-21-22-23-24(19)14-11-16-5-9-18(25-2)10-6-16/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole?
1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole has a molecular weight of 334.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole is sourced from PubChem (CID 16721111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).