1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

C18H25N5O — CID 125023056

IUPAC1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Cc2cnc(-c3ccnn3C(C)C)cn2)C1
InChIInChI=1S/C18H25N5O/c1-13(2)23-18(6-7-21-23)17-11-19-16(10-20-17)9-15-5-4-8-22(12-15)14(3)24/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3/t15-/m1/s1
InChIKeyYVCBTMVGPDAOLG-OAHLLOKOSA-N
MW327.43 g/mol
LogP2.72
Rot. Bonds4

About 1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 125023056) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
PubChem CID125023056
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Cc2cnc(-c3ccnn3C(C)C)cn2)C1
InChIInChI=1S/C18H25N5O/c1-13(2)23-18(6-7-21-23)17-11-19-16(10-20-17)9-15-5-4-8-22(12-15)14(3)24/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3/t15-/m1/s1
InChIKeyYVCBTMVGPDAOLG-OAHLLOKOSA-N
XLogP2.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124991548
1-[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125002279
1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124971110
1-[(3S)-3-[[6-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958306
2,2-dimethyl-1-[(3R)-3-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124969820
1-[(3R)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124970434
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
4-[5-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 124983560
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101564
2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124973600
2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine
CID 110101426
1-[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124949279

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (CID 125023056) is 1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](Cc2cnc(-c3ccnn3C(C)C)cn2)C1.
What is the InChIKey of 1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is YVCBTMVGPDAOLG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13(2)23-18(6-7-21-23)17-11-19-16(10-20-17)9-15-5-4-8-22(12-15)14(3)24/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 125023056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).