1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine

C18H23N7 — CID 86773463

IUPAC1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine
SMILESc1ccc(-n2nnnc2CCCN2CCC(c3cn[nH]c3)CC2)cc1
InChIInChI=1S/C18H23N7/c1-2-5-17(6-3-1)25-18(21-22-23-25)7-4-10-24-11-8-15(9-12-24)16-13-19-20-14-16/h1-3,5-6,13-15H,4,7-12H2,(H,19,20)
InChIKeyOBJRRYQOKZFJHA-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.20
Rot. Bonds6

About 1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine

1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine (PubChem CID 86773463) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine
PubChem CID86773463
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine
SMILESc1ccc(-n2nnnc2CCCN2CCC(c3cn[nH]c3)CC2)cc1
InChIInChI=1S/C18H23N7/c1-2-5-17(6-3-1)25-18(21-22-23-25)7-4-10-24-11-8-15(9-12-24)16-13-19-20-14-16/h1-3,5-6,13-15H,4,7-12H2,(H,19,20)
InChIKeyOBJRRYQOKZFJHA-UHFFFAOYSA-N
XLogP2.20
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of 1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine (CID 86773463) is 1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for 1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for 1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine is c1ccc(-n2nnnc2CCCN2CCC(c3cn[nH]c3)CC2)cc1.
What is the InChIKey of 1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine?
The InChIKey is OBJRRYQOKZFJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-2-5-17(6-3-1)25-18(21-22-23-25)7-4-10-24-11-8-15(9-12-24)16-13-19-20-14-16/h1-3,5-6,13-15H,4,7-12H2,(H,19,20).
What are the key properties of 1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine?
1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine has a molecular weight of 337.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-phenyltetrazol-5-yl)propyl]-4-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 86773463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).