3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine

C12H19N7 — CID 136563563

IUPAC3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine
SMILESCn1ccc(C2CCCN(CCn3cnnn3)C2)n1
InChIInChI=1S/C12H19N7/c1-17-6-4-12(14-17)11-3-2-5-18(9-11)7-8-19-10-13-15-16-19/h4,6,10-11H,2-3,5,7-9H2,1H3
InChIKeyKQIGMVGYYRYLFE-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.29
Rot. Bonds4

About 3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine

3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine (PubChem CID 136563563) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine
PubChem CID136563563
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine
SMILESCn1ccc(C2CCCN(CCn3cnnn3)C2)n1
InChIInChI=1S/C12H19N7/c1-17-6-4-12(14-17)11-3-2-5-18(9-11)7-8-19-10-13-15-16-19/h4,6,10-11H,2-3,5,7-9H2,1H3
InChIKeyKQIGMVGYYRYLFE-UHFFFAOYSA-N
XLogP0.29
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine
CID 129498573
2-methyl-5-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 136563569
3-cyclopentyl-1-methylpyrazole
CID 23300003
1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine
CID 121188649
3,5-dimethyl-4-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 121184804
4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70786272
3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine
CID 121188695
1-methyl-3-(1-methylazetidin-3-yl)pyrazole
CID 90070858
2-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136563572
(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine
CID 95713505
N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 121021056
2,4-dimethyl-6-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
CID 119103538

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine (CID 136563563) is 3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine is Cn1ccc(C2CCCN(CCn3cnnn3)C2)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine?
The InChIKey is KQIGMVGYYRYLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-17-6-4-12(14-17)11-3-2-5-18(9-11)7-8-19-10-13-15-16-19/h4,6,10-11H,2-3,5,7-9H2,1H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine?
3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine has a molecular weight of 261.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 136563563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).