2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone

C18H19N5O — CID 110874072

IUPAC2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C18H19N5O/c24-18(14-15-4-2-1-3-5-15)22-12-10-21(11-13-22)17-7-8-19-16-6-9-20-23(16)17/h1-9H,10-14H2
InChIKeyJNESBQRXSPIEMD-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.62
Rot. Bonds3

About 2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone

2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone (PubChem CID 110874072) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone
PubChem CID110874072
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C18H19N5O/c24-18(14-15-4-2-1-3-5-15)22-12-10-21(11-13-22)17-7-8-19-16-6-9-20-23(16)17/h1-9H,10-14H2
InChIKeyJNESBQRXSPIEMD-UHFFFAOYSA-N
XLogP1.62
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate
CID 110874085
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
CID 134800634
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 45284224
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971614
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyridin-4-ylethanone
CID 91781163
(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 134797609
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 142220575
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone (CID 110874072) is 2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone is O=C(Cc1ccccc1)N1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of 2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone?
The InChIKey is JNESBQRXSPIEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(14-15-4-2-1-3-5-15)22-12-10-21(11-13-22)17-7-8-19-16-6-9-20-23(16)17/h1-9H,10-14H2.
What are the key properties of 2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone?
2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone has a molecular weight of 321.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110874072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).