2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine

C16H23N5 — CID 110102350

IUPAC2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1cnc(CC2CCNCC2)cn1
InChIInChI=1S/C16H23N5/c1-11-16(12(2)21(3)20-11)15-10-18-14(9-19-15)8-13-4-6-17-7-5-13/h9-10,13,17H,4-8H2,1-3H3
InChIKeyZLUAHNKDGNTOHX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.04
Rot. Bonds3

About 2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine

2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine (PubChem CID 110102350) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
PubChem CID110102350
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1cnc(CC2CCNCC2)cn1
InChIInChI=1S/C16H23N5/c1-11-16(12(2)21(3)20-11)15-10-18-14(9-19-15)8-13-4-6-17-7-5-13/h9-10,13,17H,4-8H2,1-3H3
InChIKeyZLUAHNKDGNTOHX-UHFFFAOYSA-N
XLogP2.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
4-[3-(Piperidin-4-yl)-1H-pyrazol-5-yl]pyridine
CID 46937430
N-{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16187377
N-{[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-pyrazin-2-ylpropan-2-amine
CID 16190294
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium
CID 78225409
2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
2-(1-Methylpyrazol-4-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137658011
1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-amine
CID 54581685
6-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine
CID 71112740
N-[(2,6-difluorophenyl)methyl]-6-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine
CID 71113175
6-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine
CID 71473913
N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine
CID 71473914

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine (CID 110102350) is 2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine is Cc1nn(C)c(C)c1-c1cnc(CC2CCNCC2)cn1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The InChIKey is ZLUAHNKDGNTOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-16(12(2)21(3)20-11)15-10-18-14(9-19-15)8-13-4-6-17-7-5-13/h9-10,13,17H,4-8H2,1-3H3.
What are the key properties of 2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine has a molecular weight of 285.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 110102350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).