1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole

C14H17N5 — CID 92956545

IUPAC1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
SMILESCc1ccc(-n2nnnc2/C=C\N2CCCC2)cc1
InChIInChI=1S/C14H17N5/c1-12-4-6-13(7-5-12)19-14(15-16-17-19)8-11-18-9-2-3-10-18/h4-8,11H,2-3,9-10H2,1H3/b11-8-
InChIKeyGFXVKCCBZVADJN-FLIBITNWSA-N
MW255.33 g/mol
LogP2.04
Rot. Bonds3

About 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole

1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole (PubChem CID 92956545) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
PubChem CID92956545
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
SMILESCc1ccc(-n2nnnc2/C=C\N2CCCC2)cc1
InChIInChI=1S/C14H17N5/c1-12-4-6-13(7-5-12)19-14(15-16-17-19)8-11-18-9-2-3-10-18/h4-8,11H,2-3,9-10H2,1H3/b11-8-
InChIKeyGFXVKCCBZVADJN-FLIBITNWSA-N
XLogP2.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole
CID 2825325
1-(4-ethylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
CID 92965167
N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine
CID 557780
diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium
CID 7177115
1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine
CID 6062005
(E)-3-[1-(4-pyrrolidin-1-ylphenyl)tetrazol-5-yl]prop-2-enoic acid
CID 82366557
1-(3-chlorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazin-4-ium
CID 7225537
1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 10403670
1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122051249
1-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 92909735
1-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 7201534
4-chloro-2-fluoro-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5368531

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole?
The IUPAC name of 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole (CID 92956545) is 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole.
What is the SMILES notation for 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole?
The canonical SMILES for 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole is Cc1ccc(-n2nnnc2/C=C\N2CCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole?
The InChIKey is GFXVKCCBZVADJN-FLIBITNWSA-N. The full InChI is InChI=1S/C14H17N5/c1-12-4-6-13(7-5-12)19-14(15-16-17-19)8-11-18-9-2-3-10-18/h4-8,11H,2-3,9-10H2,1H3/b11-8-.
What are the key properties of 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole?
1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole has a molecular weight of 255.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole is sourced from PubChem (CID 92956545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).