2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine

C14H19N5 — CID 124948496

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine
SMILESCc1cc(-c2nccnc2C[C@H]2CCCNC2)n[nH]1
InChIInChI=1S/C14H19N5/c1-10-7-13(19-18-10)14-12(16-5-6-17-14)8-11-3-2-4-15-9-11/h5-7,11,15H,2-4,8-9H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyCNKDMTSLJGECPP-LLVKDONJSA-N
MW257.34 g/mol
LogP1.72
Rot. Bonds3

About 2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine

2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine (PubChem CID 124948496) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine
PubChem CID124948496
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine
SMILESCc1cc(-c2nccnc2C[C@H]2CCCNC2)n[nH]1
InChIInChI=1S/C14H19N5/c1-10-7-13(19-18-10)14-12(16-5-6-17-14)8-11-3-2-4-15-9-11/h5-7,11,15H,2-4,8-9H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyCNKDMTSLJGECPP-LLVKDONJSA-N
XLogP1.72
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine
CID 110102127
N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide
CID 175655071
3-[(3-methyl-2-pyridinyl)methyl]azepane
CID 104680698
2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine
CID 110102053
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde
CID 115092869
(4S)-4-[(3-phenylpyrazin-2-yl)methyl]azepane
CID 95844340
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563
2-methyl-3-[2-[(3R)-piperidin-3-yl]ethoxy]pyrazine
CID 97163244
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine
CID 118740273
4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97163051

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine (CID 124948496) is 2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine is Cc1cc(-c2nccnc2C[C@H]2CCCNC2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine?
The InChIKey is CNKDMTSLJGECPP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-7-13(19-18-10)14-12(16-5-6-17-14)8-11-3-2-4-15-9-11/h5-7,11,15H,2-4,8-9H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine?
2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine has a molecular weight of 257.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine is sourced from PubChem (CID 124948496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).