2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine

C16H23N5 — CID 110102375

IUPAC2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
SMILESCC(C)n1cc(-c2cnc(CC3CCCNC3)cn2)cn1
InChIInChI=1S/C16H23N5/c1-12(2)21-11-14(8-20-21)16-10-18-15(9-19-16)6-13-4-3-5-17-7-13/h8-13,17H,3-7H2,1-2H3
InChIKeyPMXNVUHIXAAFJT-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.46
Rot. Bonds4

About 2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine

2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine (PubChem CID 110102375) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
PubChem CID110102375
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
SMILESCC(C)n1cc(-c2cnc(CC3CCCNC3)cn2)cn1
InChIInChI=1S/C16H23N5/c1-12(2)21-11-14(8-20-21)16-10-18-15(9-19-16)6-13-4-3-5-17-7-13/h8-13,17H,3-7H2,1-2H3
InChIKeyPMXNVUHIXAAFJT-UHFFFAOYSA-N
XLogP2.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3R)-piperidin-3-yl]methyl]-5-(1-propylpyrazol-4-yl)pyrazine
CID 124968977
2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine
CID 110102408
2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
CID 110270443
2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine
CID 124976993
2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
CID 110257421
2-piperidin-3-yl-3-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102168
3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide
CID 110257586
2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine
CID 124641985
2-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 62902855
1-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
CID 62902333
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102304
2-(2-propylpyrazol-3-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine
CID 124942689

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine (CID 110102375) is 2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine is CC(C)n1cc(-c2cnc(CC3CCCNC3)cn2)cn1.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine?
The InChIKey is PMXNVUHIXAAFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)21-11-14(8-20-21)16-10-18-15(9-19-16)6-13-4-3-5-17-7-13/h8-13,17H,3-7H2,1-2H3.
What are the key properties of 2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine?
2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine has a molecular weight of 285.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 110102375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).