1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole

C15H21N5 — CID 50812205

IUPAC1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole
SMILESCc1cccc(-n2nnnc2C(C)(C)N2CCCC2)c1
InChIInChI=1S/C15H21N5/c1-12-7-6-8-13(11-12)20-14(16-17-18-20)15(2,3)19-9-4-5-10-19/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyCCRCZMSXVHLRIS-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.30
Rot. Bonds3

About 1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole

1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole (PubChem CID 50812205) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole
PubChem CID50812205
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole
SMILESCc1cccc(-n2nnnc2C(C)(C)N2CCCC2)c1
InChIInChI=1S/C15H21N5/c1-12-7-6-8-13(11-12)20-14(16-17-18-20)15(2,3)19-9-4-5-10-19/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyCCRCZMSXVHLRIS-UHFFFAOYSA-N
XLogP2.30
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole?
The IUPAC name of 1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole (CID 50812205) is 1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole.
What is the SMILES notation for 1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole?
The canonical SMILES for 1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole is Cc1cccc(-n2nnnc2C(C)(C)N2CCCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole?
The InChIKey is CCRCZMSXVHLRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-7-6-8-13(11-12)20-14(16-17-18-20)15(2,3)19-9-4-5-10-19/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole?
1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole has a molecular weight of 271.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-(2-pyrrolidin-1-ylpropan-2-yl)tetrazole is sourced from PubChem (CID 50812205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).