5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole

C19H21N5 — CID 122558610

IUPAC5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole
SMILESCC(c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)N1CCCC1
InChIInChI=1S/C19H21N5/c1-14(24-12-2-3-13-24)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-20-22-23-21-19/h4-11,14H,2-3,12-13H2,1H3,(H,20,21,22,23)
InChIKeyLWDIMWQTZJNWAS-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.69
Rot. Bonds4

About 5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole

5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole (PubChem CID 122558610) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole
PubChem CID122558610
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole
SMILESCC(c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)N1CCCC1
InChIInChI=1S/C19H21N5/c1-14(24-12-2-3-13-24)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-20-22-23-21-19/h4-11,14H,2-3,12-13H2,1H3,(H,20,21,22,23)
InChIKeyLWDIMWQTZJNWAS-UHFFFAOYSA-N
XLogP3.69
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole (CID 122558610) is 5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole is CC(c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)N1CCCC1.
What is the InChIKey of 5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole?
The InChIKey is LWDIMWQTZJNWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-14(24-12-2-3-13-24)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-20-22-23-21-19/h4-11,14H,2-3,12-13H2,1H3,(H,20,21,22,23).
What are the key properties of 5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole?
5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole has a molecular weight of 319.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 122558610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).