2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone

C17H23N5O2 — CID 650932

IUPAC2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone
SMILESCC(C)COc1ccc(-c2nnn(CC(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C17H23N5O2/c1-13(2)12-24-15-7-5-14(6-8-15)17-18-20-22(19-17)11-16(23)21-9-3-4-10-21/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyQNAQKCMWKAJRBE-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.00
Rot. Bonds6

About 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone

2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 650932) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone
PubChem CID650932
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone
SMILESCC(C)COc1ccc(-c2nnn(CC(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C17H23N5O2/c1-13(2)12-24-15-7-5-14(6-8-15)17-18-20-22(19-17)11-16(23)21-9-3-4-10-21/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyQNAQKCMWKAJRBE-UHFFFAOYSA-N
XLogP2.00
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone (CID 650932) is 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone is CC(C)COc1ccc(-c2nnn(CC(=O)N3CCCC3)n2)cc1.
What is the InChIKey of 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is QNAQKCMWKAJRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13(2)12-24-15-7-5-14(6-8-15)17-18-20-22(19-17)11-16(23)21-9-3-4-10-21/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone?
2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 329.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 650932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).