1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone

C17H20N4O2 — CID 9303584

IUPAC1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C17H20N4O2/c1-13(22)14-3-5-16(6-4-14)20-7-9-21(10-8-20)17(23)15-11-18-19(2)12-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyGDYDXPZGTMHEIS-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.59
Rot. Bonds3

About 1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 9303584) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID9303584
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C17H20N4O2/c1-13(22)14-3-5-16(6-4-14)20-7-9-21(10-8-20)17(23)15-11-18-19(2)12-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyGDYDXPZGTMHEIS-UHFFFAOYSA-N
XLogP1.59
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 9303584) is 1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3cnn(C)c3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is GDYDXPZGTMHEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13(22)14-3-5-16(6-4-14)20-7-9-21(10-8-20)17(23)15-11-18-19(2)12-15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 312.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 9303584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).