1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one

C23H21N5O — CID 70704734

IUPAC1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CCN1c1ccccc1
InChIInChI=1S/C23H21N5O/c29-22-17-26(11-12-27(22)20-9-5-2-6-10-20)15-18-13-24-23-21(14-25-28(23)16-18)19-7-3-1-4-8-19/h1-10,13-14,16H,11-12,15,17H2
InChIKeyPZLBYCJBYSSJKQ-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.25
Rot. Bonds4

About 1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one

1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one (PubChem CID 70704734) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one
PubChem CID70704734
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CCN1c1ccccc1
InChIInChI=1S/C23H21N5O/c29-22-17-26(11-12-27(22)20-9-5-2-6-10-20)15-18-13-24-23-21(14-25-28(23)16-18)19-7-3-1-4-8-19/h1-10,13-14,16H,11-12,15,17H2
InChIKeyPZLBYCJBYSSJKQ-UHFFFAOYSA-N
XLogP3.25
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Zaleplon
CID 5719
Emapunil
CID 6433109
1-[(3R)-3-(4-amino-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 137348470
Imidazopyridine 12a
CID 5329347
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
4-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329469
1-[3-(4-Methylpiperazin-1-yl)propyl]-4-{3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}-1,2-dihydropyridin-2-one
CID 5329470
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]-2-[ethyl(methyl)amino]acetamide
CID 134342227

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one?
The IUPAC name of 1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one (CID 70704734) is 1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one is O=C1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CCN1c1ccccc1.
What is the InChIKey of 1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one?
The InChIKey is PZLBYCJBYSSJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c29-22-17-26(11-12-27(22)20-9-5-2-6-10-20)15-18-13-24-23-21(14-25-28(23)16-18)19-7-3-1-4-8-19/h1-10,13-14,16H,11-12,15,17H2.
What are the key properties of 1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one?
1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one has a molecular weight of 383.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one is sourced from PubChem (CID 70704734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).