1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine

C16H19N7 — CID 133277918

IUPAC1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine
SMILESCc1ccc(-n2nnnc2N2CCC(n3cccn3)CC2)cc1
InChIInChI=1S/C16H19N7/c1-13-3-5-15(6-4-13)23-16(18-19-20-23)21-11-7-14(8-12-21)22-10-2-9-17-22/h2-6,9-10,14H,7-8,11-12H2,1H3
InChIKeyYLWFGSSKXVXYPC-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.01
Rot. Bonds3

About 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine

1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine (PubChem CID 133277918) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine
PubChem CID133277918
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine
SMILESCc1ccc(-n2nnnc2N2CCC(n3cccn3)CC2)cc1
InChIInChI=1S/C16H19N7/c1-13-3-5-15(6-4-13)23-16(18-19-20-23)21-11-7-14(8-12-21)22-10-2-9-17-22/h2-6,9-10,14H,7-8,11-12H2,1H3
InChIKeyYLWFGSSKXVXYPC-UHFFFAOYSA-N
XLogP2.01
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine?
The IUPAC name of 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine (CID 133277918) is 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine.
What is the SMILES notation for 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine?
The canonical SMILES for 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine is Cc1ccc(-n2nnnc2N2CCC(n3cccn3)CC2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine?
The InChIKey is YLWFGSSKXVXYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-13-3-5-15(6-4-13)23-16(18-19-20-23)21-11-7-14(8-12-21)22-10-2-9-17-22/h2-6,9-10,14H,7-8,11-12H2,1H3.
What are the key properties of 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine?
1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine has a molecular weight of 309.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine is sourced from PubChem (CID 133277918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).