2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine

C16H17N5S — CID 125020229

IUPAC2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
SMILESc1csc(-c2[nH]ncc2CN2CCC[C@H]2c2cnccn2)c1
InChIInChI=1S/C16H17N5S/c1-3-14(13-10-17-5-6-18-13)21(7-1)11-12-9-19-20-16(12)15-4-2-8-22-15/h2,4-6,8-10,14H,1,3,7,11H2,(H,19,20)/t14-/m0/s1
InChIKeyYBJFOPQTJPJITJ-AWEZNQCLSA-N
MW311.41 g/mol
LogP3.27
Rot. Bonds4

About 2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine

2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine (PubChem CID 125020229) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
PubChem CID125020229
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
SMILESc1csc(-c2[nH]ncc2CN2CCC[C@H]2c2cnccn2)c1
InChIInChI=1S/C16H17N5S/c1-3-14(13-10-17-5-6-18-13)21(7-1)11-12-9-19-20-16(12)15-4-2-8-22-15/h2,4-6,8-10,14H,1,3,7,11H2,(H,19,20)/t14-/m0/s1
InChIKeyYBJFOPQTJPJITJ-AWEZNQCLSA-N
XLogP3.27
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine with MolForge

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Related Compounds

5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92503026
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 45189094
2-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124941847
4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole
CID 125009893
2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124945120
1-(1-ethylpyrrolidin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233239
1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylazepane
CID 46366465
2-[(2S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]pyrazine
CID 124971747
2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124955216
4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 95550862
2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124961471

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine (CID 125020229) is 2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine is c1csc(-c2[nH]ncc2CN2CCC[C@H]2c2cnccn2)c1.
What is the InChIKey of 2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine?
The InChIKey is YBJFOPQTJPJITJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N5S/c1-3-14(13-10-17-5-6-18-13)21(7-1)11-12-9-19-20-16(12)15-4-2-8-22-15/h2,4-6,8-10,14H,1,3,7,11H2,(H,19,20)/t14-/m0/s1.
What are the key properties of 2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine?
2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine has a molecular weight of 311.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 125020229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).