3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide

C19H20N6O — CID 70759328

IUPAC3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CC2CCN(c3nnnn3-c3ccccc3)C2)c1
InChIInChI=1S/C19H20N6O/c20-18(26)16-6-4-5-14(12-16)11-15-9-10-24(13-15)19-21-22-23-25(19)17-7-2-1-3-8-17/h1-8,12,15H,9-11,13H2,(H2,20,26)
InChIKeyXQFABDHQGMXOOW-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.83
Rot. Bonds5

About 3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide

3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 70759328) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID70759328
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CC2CCN(c3nnnn3-c3ccccc3)C2)c1
InChIInChI=1S/C19H20N6O/c20-18(26)16-6-4-5-14(12-16)11-15-9-10-24(13-15)19-21-22-23-25(19)17-7-2-1-3-8-17/h1-8,12,15H,9-11,13H2,(H2,20,26)
InChIKeyXQFABDHQGMXOOW-UHFFFAOYSA-N
XLogP1.83
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide (CID 70759328) is 3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide is NC(=O)c1cccc(CC2CCN(c3nnnn3-c3ccccc3)C2)c1.
What is the InChIKey of 3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is XQFABDHQGMXOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c20-18(26)16-6-4-5-14(12-16)11-15-9-10-24(13-15)19-21-22-23-25(19)17-7-2-1-3-8-17/h1-8,12,15H,9-11,13H2,(H2,20,26).
What are the key properties of 3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide?
3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 70759328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).