4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine

C12H19N3O — CID 141336749

IUPAC4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine
SMILESCc1ccnn1C1CCN(C2COC2)CC1
InChIInChI=1S/C12H19N3O/c1-10-2-5-13-15(10)11-3-6-14(7-4-11)12-8-16-9-12/h2,5,11-12H,3-4,6-9H2,1H3
InChIKeyLVYZWXSBFOVQJD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.23
Rot. Bonds2

About 4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine

4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine (PubChem CID 141336749) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine
PubChem CID141336749
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine
SMILESCc1ccnn1C1CCN(C2COC2)CC1
InChIInChI=1S/C12H19N3O/c1-10-2-5-13-15(10)11-3-6-14(7-4-11)12-8-16-9-12/h2,5,11-12H,3-4,6-9H2,1H3
InChIKeyLVYZWXSBFOVQJD-UHFFFAOYSA-N
XLogP1.23
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(thian-4-yl)pyrazole
CID 84732484
1-(azetidin-3-yl)-5-methylpyrazole
CID 84731114
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644
1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 118288785
1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine
CID 138525322
5-tert-butyl-1-(oxetan-3-yl)pyrazole
CID 177281776
(3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine
CID 146487761
3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine
CID 118365613
3-fluoro-4-(5-methyl-4-nitropyrazol-1-yl)-1-(oxetan-3-yl)piperidine
CID 118288788
3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine
CID 169267317
2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
CID 84732987
ethane;1-(oxetan-3-yl)piperidine
CID 170574433

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine?
The IUPAC name of 4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine (CID 141336749) is 4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine is Cc1ccnn1C1CCN(C2COC2)CC1.
What is the InChIKey of 4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine?
The InChIKey is LVYZWXSBFOVQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-2-5-13-15(10)11-3-6-14(7-4-11)12-8-16-9-12/h2,5,11-12H,3-4,6-9H2,1H3.
What are the key properties of 4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine?
4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine has a molecular weight of 221.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 141336749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).