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

C13H17N5 — CID 124993082

IUPAC2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
SMILESc1cnc(CN2CCCC[C@H]2c2ccn[nH]2)cn1
InChIInChI=1S/C13H17N5/c1-2-8-18(10-11-9-14-6-7-15-11)13(3-1)12-4-5-16-17-12/h4-7,9,13H,1-3,8,10H2,(H,16,17)/t13-/m0/s1
InChIKeyPVBMHRNSEPHENG-ZDUSSCGKSA-N
MW243.31 g/mol
LogP1.93
Rot. Bonds3

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

2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine (PubChem CID 124993082) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
PubChem CID124993082
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
SMILESc1cnc(CN2CCCC[C@H]2c2ccn[nH]2)cn1
InChIInChI=1S/C13H17N5/c1-2-8-18(10-11-9-14-6-7-15-11)13(3-1)12-4-5-16-17-12/h4-7,9,13H,1-3,8,10H2,(H,16,17)/t13-/m0/s1
InChIKeyPVBMHRNSEPHENG-ZDUSSCGKSA-N
XLogP1.93
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124641351
2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
CID 125023711
2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95841214
1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 73439904
1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine
CID 110106146
(2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 124969207
1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 110096187
1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
CID 95730740
1-methyl-4-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 95841750
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 124992115
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 154794150
5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole
CID 110258107

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine?
The IUPAC name of 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine (CID 124993082) is 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine is c1cnc(CN2CCCC[C@H]2c2ccn[nH]2)cn1.
What is the InChIKey of 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine?
The InChIKey is PVBMHRNSEPHENG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-8-18(10-11-9-14-6-7-15-11)13(3-1)12-4-5-16-17-12/h4-7,9,13H,1-3,8,10H2,(H,16,17)/t13-/m0/s1.
What are the key properties of 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine?
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine has a molecular weight of 243.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 124993082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).