2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide

C15H20N6O — CID 131918199

IUPAC2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide
SMILESO=C(Cn1cccn1)NCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H20N6O/c22-14(12-21-8-2-7-19-21)18-11-13-3-9-20(10-4-13)15-16-5-1-6-17-15/h1-2,5-8,13H,3-4,9-12H2,(H,18,22)
InChIKeyYPKCBBQRCGPGTF-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.71
Rot. Bonds5

About 2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide

2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 131918199) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide
PubChem CID131918199
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide
SMILESO=C(Cn1cccn1)NCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H20N6O/c22-14(12-21-8-2-7-19-21)18-11-13-3-9-20(10-4-13)15-16-5-1-6-17-15/h1-2,5-8,13H,3-4,9-12H2,(H,18,22)
InChIKeyYPKCBBQRCGPGTF-UHFFFAOYSA-N
XLogP0.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide (CID 131918199) is 2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide is O=C(Cn1cccn1)NCC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is YPKCBBQRCGPGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c22-14(12-21-8-2-7-19-21)18-11-13-3-9-20(10-4-13)15-16-5-1-6-17-15/h1-2,5-8,13H,3-4,9-12H2,(H,18,22).
What are the key properties of 2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide?
2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 300.37 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 131918199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).