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

C15H25N5O2 — CID 50975736

IUPAC2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCN(C(C)=O)CC2)c1C
InChIInChI=1S/C15H25N5O2/c1-5-20-12(3)15(11(2)17-20)16-14(22)10-18-6-8-19(9-7-18)13(4)21/h5-10H2,1-4H3,(H,16,22)
InChIKeyVVEZUFRRJRESMR-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.62
Rot. Bonds4

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

2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 50975736) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
PubChem CID50975736
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCN(C(C)=O)CC2)c1C
InChIInChI=1S/C15H25N5O2/c1-5-20-12(3)15(11(2)17-20)16-14(22)10-18-6-8-19(9-7-18)13(4)21/h5-10H2,1-4H3,(H,16,22)
InChIKeyVVEZUFRRJRESMR-UHFFFAOYSA-N
XLogP0.62
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide (CID 50975736) is 2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide is CCn1nc(C)c(NC(=O)CN2CCN(C(C)=O)CC2)c1C.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is VVEZUFRRJRESMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-5-20-12(3)15(11(2)17-20)16-14(22)10-18-6-8-19(9-7-18)13(4)21/h5-10H2,1-4H3,(H,16,22).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 307.40 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 50975736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).