2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine

C19H29N5 — CID 110101564

IUPAC2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
SMILESCC(C)N1CCCC(Cc2cncc(-c3ccnn3C(C)C)n2)C1
InChIInChI=1S/C19H29N5/c1-14(2)23-9-5-6-16(13-23)10-17-11-20-12-18(22-17)19-7-8-21-24(19)15(3)4/h7-8,11-12,14-16H,5-6,9-10,13H2,1-4H3
InChIKeyKYLNIIBRPXKZDO-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.58
Rot. Bonds5

About 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine

2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine (PubChem CID 110101564) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
PubChem CID110101564
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
SMILESCC(C)N1CCCC(Cc2cncc(-c3ccnn3C(C)C)n2)C1
InChIInChI=1S/C19H29N5/c1-14(2)23-9-5-6-16(13-23)10-17-11-20-12-18(22-17)19-7-8-21-24(19)15(3)4/h7-8,11-12,14-16H,5-6,9-10,13H2,1-4H3
InChIKeyKYLNIIBRPXKZDO-UHFFFAOYSA-N
XLogP3.58
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 124977978
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102304
2-[[(3R)-1-methylpiperidin-3-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrazine
CID 125010660
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101514
2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine
CID 125025306
1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023056
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 125016939
1-[(3R)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124970434
1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124971110
3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110101583
5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 110120451
2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine
CID 124964634

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine?
The IUPAC name of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine (CID 110101564) is 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine.
What is the SMILES notation for 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine?
The canonical SMILES for 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine is CC(C)N1CCCC(Cc2cncc(-c3ccnn3C(C)C)n2)C1.
What is the InChIKey of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine?
The InChIKey is KYLNIIBRPXKZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-14(2)23-9-5-6-16(13-23)10-17-11-20-12-18(22-17)19-7-8-21-24(19)15(3)4/h7-8,11-12,14-16H,5-6,9-10,13H2,1-4H3.
What are the key properties of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine?
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine has a molecular weight of 327.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine is sourced from PubChem (CID 110101564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).