3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate

C17H22N4O2 — CID 86902646

IUPAC3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate
SMILESO=C(CC1CCCC1)OCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O2/c22-16(13-14-7-4-5-8-14)23-12-6-11-21-19-17(18-20-21)15-9-2-1-3-10-15/h1-3,9-10,14H,4-8,11-13H2
InChIKeyGFBYNWXWUATKGA-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.85
Rot. Bonds7

About 3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate

3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate (PubChem CID 86902646) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate.

Molecular Properties

Compound Name3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate
PubChem CID86902646
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate
SMILESO=C(CC1CCCC1)OCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O2/c22-16(13-14-7-4-5-8-14)23-12-6-11-21-19-17(18-20-21)15-9-2-1-3-10-15/h1-3,9-10,14H,4-8,11-13H2
InChIKeyGFBYNWXWUATKGA-UHFFFAOYSA-N
XLogP2.85
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-phenyltetrazol-2-yl)propyl 3-[(2S)-oxolan-2-yl]propanoate
CID 95174707
3-(5-phenyltetrazol-2-yl)propyl 4-methylpentanoate
CID 86902685
3-(5-phenyltetrazol-2-yl)propyl (E)-3-phenylprop-2-enoate
CID 86902611
3-(1,3-dioxoisoindol-2-yl)propyl 2-cyclohexylacetate
CID 110495090
(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124702735
1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 86903022
3-(5-phenyltetrazol-2-yl)propyl 2-ethoxybenzoate
CID 86902664
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124693799
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124694433
N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine
CID 56550368
(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide
CID 95280291
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate?
The IUPAC name of 3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate (CID 86902646) is 3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate.
What is the SMILES notation for 3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate?
The canonical SMILES for 3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate is O=C(CC1CCCC1)OCCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate?
The InChIKey is GFBYNWXWUATKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-16(13-14-7-4-5-8-14)23-12-6-11-21-19-17(18-20-21)15-9-2-1-3-10-15/h1-3,9-10,14H,4-8,11-13H2.
What are the key properties of 3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate?
3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate has a molecular weight of 314.39 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate is sourced from PubChem (CID 86902646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).