2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine

C17H25N5 — CID 110226287

IUPAC2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
SMILESCCn1nc(C)c(CN2CCCC(c3cnccn3)C2)c1C
InChIInChI=1S/C17H25N5/c1-4-22-14(3)16(13(2)20-22)12-21-9-5-6-15(11-21)17-10-18-7-8-19-17/h7-8,10,15H,4-6,9,11-12H2,1-3H3
InChIKeyJPTODEVEJYTLKZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.69
Rot. Bonds4

About 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine

2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine (PubChem CID 110226287) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
PubChem CID110226287
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
SMILESCCn1nc(C)c(CN2CCCC(c3cnccn3)C2)c1C
InChIInChI=1S/C17H25N5/c1-4-22-14(3)16(13(2)20-22)12-21-9-5-6-15(11-21)17-10-18-7-8-19-17/h7-8,10,15H,4-6,9,11-12H2,1-3H3
InChIKeyJPTODEVEJYTLKZ-UHFFFAOYSA-N
XLogP2.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923
2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine
CID 124965345
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 95846016
2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95829511
2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine
CID 95833193
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 91660548
4-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95718523
2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 95708113
2-[(3S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129323681
5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124973900
[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 19623284

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine?
The IUPAC name of 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine (CID 110226287) is 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine?
The canonical SMILES for 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine is CCn1nc(C)c(CN2CCCC(c3cnccn3)C2)c1C.
What is the InChIKey of 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine?
The InChIKey is JPTODEVEJYTLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-4-22-14(3)16(13(2)20-22)12-21-9-5-6-15(11-21)17-10-18-7-8-19-17/h7-8,10,15H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine?
2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine has a molecular weight of 299.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine is sourced from PubChem (CID 110226287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).