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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Related Compounds

4-(2-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine
CID 137640071
5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 822943
4-(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-ylamine
CID 1472680
4-[5-methyl-4-(4-pyridinylmethyl)-4H-1,2,4-triazol-3-yl]-1-phenyl-1H-pyrazol-5-amine
CID 1472689
5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818189
1-Phenyl-5-[5-(trifluoromethyl)pyrazol-4-yl]-1,2,3,4-tetraazole
CID 2825791
2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine
CID 59252376
5-[3-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(p-tolyl)tetrazole
CID 737147
5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818187
1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 53192111
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 53192334
N-[(1-phenyltetrazol-5-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 53607235

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).