2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine

C16H23N5 — CID 95979023

IUPAC2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine
SMILESCc1cnc(CN2CCC[C@H]2c2c(C)nn(C)c2C)cn1
InChIInChI=1S/C16H23N5/c1-11-8-18-14(9-17-11)10-21-7-5-6-15(21)16-12(2)19-20(4)13(16)3/h8-9,15H,5-7,10H2,1-4H3/t15-/m0/s1
InChIKeyWHTHXSOQHGIEKK-HNNXBMFYSA-N
MW285.39 g/mol
LogP2.47
Rot. Bonds3

About 2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine

2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine (PubChem CID 95979023) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine
PubChem CID95979023
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine
SMILESCc1cnc(CN2CCC[C@H]2c2c(C)nn(C)c2C)cn1
InChIInChI=1S/C16H23N5/c1-11-8-18-14(9-17-11)10-21-7-5-6-15(21)16-12(2)19-20(4)13(16)3/h8-9,15H,5-7,10H2,1-4H3/t15-/m0/s1
InChIKeyWHTHXSOQHGIEKK-HNNXBMFYSA-N
XLogP2.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine?
The IUPAC name of 2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine (CID 95979023) is 2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine is Cc1cnc(CN2CCC[C@H]2c2c(C)nn(C)c2C)cn1.
What is the InChIKey of 2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine?
The InChIKey is WHTHXSOQHGIEKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-8-18-14(9-17-11)10-21-7-5-6-15(21)16-12(2)19-20(4)13(16)3/h8-9,15H,5-7,10H2,1-4H3/t15-/m0/s1.
What are the key properties of 2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine?
2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine has a molecular weight of 285.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 95979023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).