[4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone

C23H19Cl2N5O — CID 44630539

IUPAC[4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2cc(Cl)nc3cc(-c4cccc(Cl)c4)nn23)CC1
InChIInChI=1S/C23H19Cl2N5O/c24-18-8-4-7-17(13-18)19-14-21-26-20(25)15-22(30(21)27-19)28-9-11-29(12-10-28)23(31)16-5-2-1-3-6-16/h1-8,13-15H,9-12H2
InChIKeyDPGXCTRHTPYRPJ-UHFFFAOYSA-N
MW452.35 g/mol
LogP4.67
Rot. Bonds3

About [4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone

[4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 44630539) has the molecular formula C23H19Cl2N5O and a molecular weight of 452.35 g/mol. Its IUPAC name is [4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone
PubChem CID44630539
Molecular FormulaC23H19Cl2N5O
Molecular Weight452.35 g/mol
Exact Mass451.10
IUPAC Name[4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2cc(Cl)nc3cc(-c4cccc(Cl)c4)nn23)CC1
InChIInChI=1S/C23H19Cl2N5O/c24-18-8-4-7-17(13-18)19-14-21-26-20(25)15-22(30(21)27-19)28-9-11-29(12-10-28)23(31)16-5-2-1-3-6-16/h1-8,13-15H,9-12H2
InChIKeyDPGXCTRHTPYRPJ-UHFFFAOYSA-N
XLogP4.67
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.35
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone (CID 44630539) is [4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2cc(Cl)nc3cc(-c4cccc(Cl)c4)nn23)CC1.
What is the InChIKey of [4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is DPGXCTRHTPYRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O/c24-18-8-4-7-17(13-18)19-14-21-26-20(25)15-22(30(21)27-19)28-9-11-29(12-10-28)23(31)16-5-2-1-3-6-16/h1-8,13-15H,9-12H2.
What are the key properties of [4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone?
[4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 452.35 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 44630539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).