1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone

C24H22ClN5O — CID 44602405

IUPAC1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1
InChIInChI=1S/C24H22ClN5O/c1-17(31)28-10-12-29(13-11-28)24-16-21(18-6-3-2-4-7-18)26-23-15-22(27-30(23)24)19-8-5-9-20(25)14-19/h2-9,14-16H,10-13H2,1H3
InChIKeyUHMDMXNBUGGPTH-UHFFFAOYSA-N
MW431.93 g/mol
LogP4.39
Rot. Bonds3

About 1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone

1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone (PubChem CID 44602405) has the molecular formula C24H22ClN5O and a molecular weight of 431.93 g/mol. Its IUPAC name is 1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
PubChem CID44602405
Molecular FormulaC24H22ClN5O
Molecular Weight431.93 g/mol
Exact Mass431.15
IUPAC Name1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1
InChIInChI=1S/C24H22ClN5O/c1-17(31)28-10-12-29(13-11-28)24-16-21(18-6-3-2-4-7-18)26-23-15-22(27-30(23)24)19-8-5-9-20(25)14-19/h2-9,14-16H,10-13H2,1H3
InChIKeyUHMDMXNBUGGPTH-UHFFFAOYSA-N
XLogP4.39
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone (CID 44602405) is 1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1.
What is the InChIKey of 1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone?
The InChIKey is UHMDMXNBUGGPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O/c1-17(31)28-10-12-29(13-11-28)24-16-21(18-6-3-2-4-7-18)26-23-15-22(27-30(23)24)19-8-5-9-20(25)14-19/h2-9,14-16H,10-13H2,1H3.
What are the key properties of 1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone?
1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone has a molecular weight of 431.93 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 44602405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).