2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine

C14H23N3O — CID 110095176

IUPAC2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine
SMILESCc1cn[nH]c1C1CCCCN1C1CCOCC1
InChIInChI=1S/C14H23N3O/c1-11-10-15-16-14(11)13-4-2-3-7-17(13)12-5-8-18-9-6-12/h10,12-13H,2-9H2,1H3,(H,15,16)
InChIKeyQBCOVGMWZUCPCX-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.42
Rot. Bonds2

About 2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine

2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine (PubChem CID 110095176) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine
PubChem CID110095176
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine
SMILESCc1cn[nH]c1C1CCCCN1C1CCOCC1
InChIInChI=1S/C14H23N3O/c1-11-10-15-16-14(11)13-4-2-3-7-17(13)12-5-8-18-9-6-12/h10,12-13H,2-9H2,1H3,(H,15,16)
InChIKeyQBCOVGMWZUCPCX-UHFFFAOYSA-N
XLogP2.42
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95817091
3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine
CID 110132489
N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110272260
4-methyl-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 95841783
4-methyl-5-(oxan-4-yl)-1H-pyrazole
CID 144872646
1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110096331
1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95824362
(2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95843085
5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125011600
2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine
CID 73439874
5-cycloundecyl-4-methyl-1H-pyrazole
CID 173176811
2-ethoxy-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 73439591

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine?
The IUPAC name of 2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine (CID 110095176) is 2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine.
What is the SMILES notation for 2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine?
The canonical SMILES for 2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine is Cc1cn[nH]c1C1CCCCN1C1CCOCC1.
What is the InChIKey of 2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine?
The InChIKey is QBCOVGMWZUCPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-10-15-16-14(11)13-4-2-3-7-17(13)12-5-8-18-9-6-12/h10,12-13H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine?
2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine has a molecular weight of 249.36 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 110095176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).