1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one

C13H20N4O2 — CID 71934218

IUPAC1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCCC(=O)N1CCN(C(=O)CCn2cccn2)CC1
InChIInChI=1S/C13H20N4O2/c1-2-12(18)15-8-10-16(11-9-15)13(19)4-7-17-6-3-5-14-17/h3,5-6H,2,4,7-11H2,1H3
InChIKeyXFSJZRFPVNFPJA-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.35
Rot. Bonds4

About 1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one

1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one (PubChem CID 71934218) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
PubChem CID71934218
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCCC(=O)N1CCN(C(=O)CCn2cccn2)CC1
InChIInChI=1S/C13H20N4O2/c1-2-12(18)15-8-10-16(11-9-15)13(19)4-7-17-6-3-5-14-17/h3,5-6H,2,4,7-11H2,1H3
InChIKeyXFSJZRFPVNFPJA-UHFFFAOYSA-N
XLogP0.35
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 43501387
N-(2-oxo-2-piperazin-1-ylethyl)-3-pyrazol-1-ylpropanamide
CID 61176642
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 112630745
1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119410423
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 95758850
3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 120982786
3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 107322936
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120658799
2-[4-(3-pyrazol-1-ylpropanoyl)-1,4-diazepan-1-yl]benzonitrile
CID 56813037
(2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154788478

Frequently Asked Questions

What is the IUPAC name of 1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one (CID 71934218) is 1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one is CCC(=O)N1CCN(C(=O)CCn2cccn2)CC1.
What is the InChIKey of 1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one?
The InChIKey is XFSJZRFPVNFPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-12(18)15-8-10-16(11-9-15)13(19)4-7-17-6-3-5-14-17/h3,5-6H,2,4,7-11H2,1H3.
What are the key properties of 1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one?
1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one has a molecular weight of 264.33 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 71934218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).