2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine

C16H23N5 — CID 110102127

IUPAC2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine
SMILESCCCn1cc(-c2nccnc2CC2CCCNC2)cn1
InChIInChI=1S/C16H23N5/c1-2-8-21-12-14(11-20-21)16-15(18-6-7-19-16)9-13-4-3-5-17-10-13/h6-7,11-13,17H,2-5,8-10H2,1H3
InChIKeyKZXPDZZBKCEHTH-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.29
Rot. Bonds5

About 2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine

2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine (PubChem CID 110102127) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine
PubChem CID110102127
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine
SMILESCCCn1cc(-c2nccnc2CC2CCCNC2)cn1
InChIInChI=1S/C16H23N5/c1-2-8-21-12-14(11-20-21)16-15(18-6-7-19-16)9-13-4-3-5-17-10-13/h6-7,11-13,17H,2-5,8-10H2,1H3
InChIKeyKZXPDZZBKCEHTH-UHFFFAOYSA-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 ≤ 500285.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3R)-piperidin-3-yl]methyl]-5-(1-propylpyrazol-4-yl)pyrazine
CID 124968977
3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine
CID 103573754
3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride
CID 164576503
2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine
CID 124948496
4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
CID 95726413
2-(1-methylpyrazol-4-yl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 124641432
(4S)-4-[(3-phenylpyrazin-2-yl)methyl]azepane
CID 95844340
4-(1-propylpyrazol-4-yl)azepane
CID 83261378
2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine
CID 124976993
4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane
CID 107174374
N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
CID 103572294
1-methyl-3-(piperidin-3-ylmethyl)pyrrolo[2,3-c]pyridine
CID 84692956

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine (CID 110102127) is 2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine is CCCn1cc(-c2nccnc2CC2CCCNC2)cn1.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine?
The InChIKey is KZXPDZZBKCEHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-8-21-12-14(11-20-21)16-15(18-6-7-19-16)9-13-4-3-5-17-10-13/h6-7,11-13,17H,2-5,8-10H2,1H3.
What are the key properties of 2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine?
2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine has a molecular weight of 285.40 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-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 110102127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).