2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine

C16H23N5 — CID 124976993

IUPAC2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine
SMILESCCCn1nccc1-c1cnc(C[C@@H]2CCCNC2)cn1
InChIInChI=1S/C16H23N5/c1-2-8-21-16(5-7-20-21)15-12-18-14(11-19-15)9-13-4-3-6-17-10-13/h5,7,11-13,17H,2-4,6,8-10H2,1H3/t13-/m0/s1
InChIKeyLJHASPPOZJYITH-ZDUSSCGKSA-N
MW285.39 g/mol
LogP2.29
Rot. Bonds5

About 2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine

2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine (PubChem CID 124976993) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine
PubChem CID124976993
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine
SMILESCCCn1nccc1-c1cnc(C[C@@H]2CCCNC2)cn1
InChIInChI=1S/C16H23N5/c1-2-8-21-16(5-7-20-21)15-12-18-14(11-19-15)9-13-4-3-6-17-10-13/h5,7,11-13,17H,2-4,6,8-10H2,1H3/t13-/m0/s1
InChIKeyLJHASPPOZJYITH-ZDUSSCGKSA-N
XLogP2.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-propylpyrazol-3-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine
CID 124942689
2-[[(3R)-piperidin-3-yl]methyl]-5-(1-propylpyrazol-4-yl)pyrazine
CID 124968977
2-(2-methylpyrazol-3-yl)-5-(piperidin-3-ylmethyl)pyridine
CID 110102100
2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine
CID 125013738
2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102375
2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
CID 110270443
2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine
CID 125014329
2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
CID 110257421
2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine
CID 124641985
1-propyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 114557866
4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124971396
5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 110102056

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine?
The IUPAC name of 2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine (CID 124976993) is 2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine.
What is the SMILES notation for 2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine?
The canonical SMILES for 2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine is CCCn1nccc1-c1cnc(C[C@@H]2CCCNC2)cn1.
What is the InChIKey of 2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine?
The InChIKey is LJHASPPOZJYITH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-8-21-16(5-7-20-21)15-12-18-14(11-19-15)9-13-4-3-6-17-10-13/h5,7,11-13,17H,2-4,6,8-10H2,1H3/t13-/m0/s1.
What are the key properties of 2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine?
2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine has a molecular weight of 285.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine is sourced from PubChem (CID 124976993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).