2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine

C15H21N5 — CID 125013738

IUPAC2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine
SMILESCCn1nccc1-c1cnc(C[C@@H]2CCN(C)C2)cn1
InChIInChI=1S/C15H21N5/c1-3-20-15(4-6-18-20)14-10-16-13(9-17-14)8-12-5-7-19(2)11-12/h4,6,9-10,12H,3,5,7-8,11H2,1-2H3/t12-/m0/s1
InChIKeyWHEUYIYEKZHEQK-LBPRGKRZSA-N
MW271.37 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine

2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine (PubChem CID 125013738) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine
PubChem CID125013738
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine
SMILESCCn1nccc1-c1cnc(C[C@@H]2CCN(C)C2)cn1
InChIInChI=1S/C15H21N5/c1-3-20-15(4-6-18-20)14-10-16-13(9-17-14)8-12-5-7-19(2)11-12/h4,6,9-10,12H,3,5,7-8,11H2,1-2H3/t12-/m0/s1
InChIKeyWHEUYIYEKZHEQK-LBPRGKRZSA-N
XLogP1.85
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 110102056
2-(2-propylpyrazol-3-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine
CID 124942689
2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine
CID 124976993
2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine
CID 110101426
2,2-dimethyl-1-[(3R)-3-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124969820
2-(2-ethylpyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125022325
2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124983638
2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110102065
1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124949029
N,N-dimethyl-4-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 155983374
1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110101484
4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124964395

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine (CID 125013738) is 2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine is CCn1nccc1-c1cnc(C[C@@H]2CCN(C)C2)cn1.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine?
The InChIKey is WHEUYIYEKZHEQK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-20-15(4-6-18-20)14-10-16-13(9-17-14)8-12-5-7-19(2)11-12/h4,6,9-10,12H,3,5,7-8,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine?
2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine has a molecular weight of 271.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine is sourced from PubChem (CID 125013738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).