5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole

C12H14ClN5 — CID 63389979

IUPAC5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole
SMILESClCC1CCCN1c1nnnn1-c1ccccc1
InChIInChI=1S/C12H14ClN5/c13-9-11-7-4-8-17(11)12-14-15-16-18(12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKeyOYYPFNDBKWLWFF-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.87
Rot. Bonds3

About 5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole

5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole (PubChem CID 63389979) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole
PubChem CID63389979
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole
SMILESClCC1CCCN1c1nnnn1-c1ccccc1
InChIInChI=1S/C12H14ClN5/c13-9-11-7-4-8-17(11)12-14-15-16-18(12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKeyOYYPFNDBKWLWFF-UHFFFAOYSA-N
XLogP1.87
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole with MolForge

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

Launch Full Analysis

Related Compounds

5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole
CID 63390156
2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine
CID 63392298
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 106026908
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
(1R,4R)-2-(1-phenyltetrazol-5-yl)-2,5-diazabicyclo[2.2.2]octane
CID 59511206
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
CID 114780826
1-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]imidazolidin-2-one
CID 133314224

Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole?
The IUPAC name of 5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole (CID 63389979) is 5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole.
What is the SMILES notation for 5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole?
The canonical SMILES for 5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole is ClCC1CCCN1c1nnnn1-c1ccccc1.
What is the InChIKey of 5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole?
The InChIKey is OYYPFNDBKWLWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-9-11-7-4-8-17(11)12-14-15-16-18(12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2.
What are the key properties of 5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole?
5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole has a molecular weight of 263.73 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole is sourced from PubChem (CID 63389979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).