1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C20H29N5O — CID 124943302

IUPAC1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCn1nccc1-c1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C20H29N5O/c1-5-25-17(8-9-23-25)18-16(21-10-11-22-18)13-15-7-6-12-24(14-15)19(26)20(2,3)4/h8-11,15H,5-7,12-14H2,1-4H3/t15-/m1/s1
InChIKeyBBNXUNDGFUKPDL-OAHLLOKOSA-N
MW355.49 g/mol
LogP3.19
Rot. Bonds4

About 1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 124943302) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID124943302
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCn1nccc1-c1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C20H29N5O/c1-5-25-17(8-9-23-25)18-16(21-10-11-22-18)13-15-7-6-12-24(14-15)19(26)20(2,3)4/h8-11,15H,5-7,12-14H2,1-4H3/t15-/m1/s1
InChIKeyBBNXUNDGFUKPDL-OAHLLOKOSA-N
XLogP3.19
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[(3S)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 124943301
2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 110101653
2,2-dimethyl-1-[3-[3-(2-propylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110101549
1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 125013630
1-[3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110131850
1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124974350
2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 110131702
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 125016939
1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961929
1-[(3R)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124970434
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101514
1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110101824

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 124943302) is 1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CCn1nccc1-c1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is BBNXUNDGFUKPDL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N5O/c1-5-25-17(8-9-23-25)18-16(21-10-11-22-18)13-15-7-6-12-24(14-15)19(26)20(2,3)4/h8-11,15H,5-7,12-14H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 355.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 124943302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).