2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine

C15H21N5 — CID 124944246

IUPAC2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
SMILESCCCn1cc(CN2CCC[C@H]2c2cnccn2)cn1
InChIInChI=1S/C15H21N5/c1-2-7-20-12-13(9-18-20)11-19-8-3-4-15(19)14-10-16-5-6-17-14/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3/t15-/m0/s1
InChIKeyBIJHSTCXGKKHNI-HNNXBMFYSA-N
MW271.37 g/mol
LogP2.42
Rot. Bonds5

About 2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine

2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine (PubChem CID 124944246) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
PubChem CID124944246
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
SMILESCCCn1cc(CN2CCC[C@H]2c2cnccn2)cn1
InChIInChI=1S/C15H21N5/c1-2-7-20-12-13(9-18-20)11-19-8-3-4-15(19)14-10-16-5-6-17-14/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3/t15-/m0/s1
InChIKeyBIJHSTCXGKKHNI-HNNXBMFYSA-N
XLogP2.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 124944247
4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 125016297
2-imidazol-1-yl-6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95826958
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 110103097
N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124940019
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
4-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124946594
2-[(2S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]pyrazine
CID 124971747
2-methyl-6-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820587
1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole
CID 124943222
1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 104869108

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine (CID 124944246) is 2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine is CCCn1cc(CN2CCC[C@H]2c2cnccn2)cn1.
What is the InChIKey of 2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine?
The InChIKey is BIJHSTCXGKKHNI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-7-20-12-13(9-18-20)11-19-8-3-4-15(19)14-10-16-5-6-17-14/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine?
2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine has a molecular weight of 271.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 124944246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).