2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide

C18H26N6O — CID 56915257

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
SMILESCCc1c(C)nn(CC(=O)NC2CCCN(c3ncccn3)C2)c1C
InChIInChI=1S/C18H26N6O/c1-4-16-13(2)22-24(14(16)3)12-17(25)21-15-7-5-10-23(11-15)18-19-8-6-9-20-18/h6,8-9,15H,4-5,7,10-12H2,1-3H3,(H,21,25)
InChIKeyVNUFBMRMNZPLGP-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.64
Rot. Bonds5

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide (PubChem CID 56915257) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
PubChem CID56915257
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
SMILESCCc1c(C)nn(CC(=O)NC2CCCN(c3ncccn3)C2)c1C
InChIInChI=1S/C18H26N6O/c1-4-16-13(2)22-24(14(16)3)12-17(25)21-15-7-5-10-23(11-15)18-19-8-6-9-20-18/h6,8-9,15H,4-5,7,10-12H2,1-3H3,(H,21,25)
InChIKeyVNUFBMRMNZPLGP-UHFFFAOYSA-N
XLogP1.64
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide (CID 56915257) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide is CCc1c(C)nn(CC(=O)NC2CCCN(c3ncccn3)C2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
The InChIKey is VNUFBMRMNZPLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-4-16-13(2)22-24(14(16)3)12-17(25)21-15-7-5-10-23(11-15)18-19-8-6-9-20-18/h6,8-9,15H,4-5,7,10-12H2,1-3H3,(H,21,25).
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide has a molecular weight of 342.45 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide is sourced from PubChem (CID 56915257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).