1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C15H24N4O2 — CID 34840010

IUPAC1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C15H24N4O2/c1-11-14(12(2)17(4)16-11)5-6-15(21)19-9-7-18(8-10-19)13(3)20/h5-10H2,1-4H3
InChIKeyYBLQSPCCGVOGHW-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.66
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 34840010) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID34840010
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C15H24N4O2/c1-11-14(12(2)17(4)16-11)5-6-15(21)19-9-7-18(8-10-19)13(3)20/h5-10H2,1-4H3
InChIKeyYBLQSPCCGVOGHW-UHFFFAOYSA-N
XLogP0.66
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 34840010) is 1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is CC(=O)N1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is YBLQSPCCGVOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-14(12(2)17(4)16-11)5-6-15(21)19-9-7-18(8-10-19)13(3)20/h5-10H2,1-4H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 34840010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).