N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide

C16H20N6O2 — CID 118740099

IUPACN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)N1CCC(c2nccnc2CNC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C16H20N6O2/c1-11(23)22-8-3-12(4-9-22)15-14(17-6-7-18-15)10-19-16(24)13-2-5-20-21-13/h2,5-7,12H,3-4,8-10H2,1H3,(H,19,24)(H,20,21)
InChIKeyDLGYEUFXPUCDFU-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.86
Rot. Bonds4

About N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide

N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 118740099) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID118740099
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)N1CCC(c2nccnc2CNC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C16H20N6O2/c1-11(23)22-8-3-12(4-9-22)15-14(17-6-7-18-15)10-19-16(24)13-2-5-20-21-13/h2,5-7,12H,3-4,8-10H2,1H3,(H,19,24)(H,20,21)
InChIKeyDLGYEUFXPUCDFU-UHFFFAOYSA-N
XLogP0.86
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide (CID 118740099) is N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide is CC(=O)N1CCC(c2nccnc2CNC(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DLGYEUFXPUCDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11(23)22-8-3-12(4-9-22)15-14(17-6-7-18-15)10-19-16(24)13-2-5-20-21-13/h2,5-7,12H,3-4,8-10H2,1H3,(H,19,24)(H,20,21).
What are the key properties of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118740099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).