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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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).