N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide

C17H24N6O — CID 110095660

IUPACN-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nccnc1C1CCN(Cc2ccnn2C)CC1
InChIInChI=1S/C17H24N6O/c1-13(24)20-11-16-17(19-8-7-18-16)14-4-9-23(10-5-14)12-15-3-6-21-22(15)2/h3,6-8,14H,4-5,9-12H2,1-2H3,(H,20,24)
InChIKeyFYLDMEMYSWBMHS-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.23
Rot. Bonds5

About N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide

N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 110095660) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
PubChem CID110095660
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nccnc1C1CCN(Cc2ccnn2C)CC1
InChIInChI=1S/C17H24N6O/c1-13(24)20-11-16-17(19-8-7-18-16)14-4-9-23(10-5-14)12-15-3-6-21-22(15)2/h3,6-8,14H,4-5,9-12H2,1-2H3,(H,20,24)
InChIKeyFYLDMEMYSWBMHS-UHFFFAOYSA-N
XLogP1.23
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide (CID 110095660) is N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1nccnc1C1CCN(Cc2ccnn2C)CC1.
What is the InChIKey of N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is FYLDMEMYSWBMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13(24)20-11-16-17(19-8-7-18-16)14-4-9-23(10-5-14)12-15-3-6-21-22(15)2/h3,6-8,14H,4-5,9-12H2,1-2H3,(H,20,24).
What are the key properties of N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 110095660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).