2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine

C19H21N5 — CID 56722746

IUPAC2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine
SMILESc1ccc(Cc2cn[nH]c2C2CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C19H21N5/c1-2-5-15(6-3-1)11-17-12-22-23-19(17)16-7-4-10-24(14-16)18-13-20-8-9-21-18/h1-3,5-6,8-9,12-13,16H,4,7,10-11,14H2,(H,22,23)
InChIKeyRQXKYSBMLTWEMG-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.17
Rot. Bonds4

About 2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine

2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine (PubChem CID 56722746) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine
PubChem CID56722746
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine
SMILESc1ccc(Cc2cn[nH]c2C2CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C19H21N5/c1-2-5-15(6-3-1)11-17-12-22-23-19(17)16-7-4-10-24(14-16)18-13-20-8-9-21-18/h1-3,5-6,8-9,12-13,16H,4,7,10-11,14H2,(H,22,23)
InChIKeyRQXKYSBMLTWEMG-UHFFFAOYSA-N
XLogP3.17
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 129132920
4-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 95227792
3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine
CID 56855128
2-amino-1-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95207545
2-[(3S)-3-pyridin-2-ylpiperidin-1-yl]pyrazine
CID 95817344
2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline
CID 95225378
(1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95197421
2-amino-1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 56740582
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126467483
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364
3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95228413
[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95188191

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine (CID 56722746) is 2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine is c1ccc(Cc2cn[nH]c2C2CCCN(c3cnccn3)C2)cc1.
What is the InChIKey of 2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine?
The InChIKey is RQXKYSBMLTWEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-2-5-15(6-3-1)11-17-12-22-23-19(17)16-7-4-10-24(14-16)18-13-20-8-9-21-18/h1-3,5-6,8-9,12-13,16H,4,7,10-11,14H2,(H,22,23).
What are the key properties of 2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine?
2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine has a molecular weight of 319.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 56722746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).