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

C24H24ClN5O — CID 4970369

IUPAC2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(-c3ccccc3)nc3c(-c4ccc(Cl)cc4)cnn23)CC1
InChIInChI=1S/C24H24ClN5O/c25-20-8-6-18(7-9-20)21-17-26-30-23(29-12-10-28(11-13-29)14-15-31)16-22(27-24(21)30)19-4-2-1-3-5-19/h1-9,16-17,31H,10-15H2
InChIKeyGKIKIUKKCFXAHS-UHFFFAOYSA-N
MW433.94 g/mol
LogP3.83
Rot. Bonds5

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

2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol (PubChem CID 4970369) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is 2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol
PubChem CID4970369
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC Name2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(-c3ccccc3)nc3c(-c4ccc(Cl)cc4)cnn23)CC1
InChIInChI=1S/C24H24ClN5O/c25-20-8-6-18(7-9-20)21-17-26-30-23(29-12-10-28(11-13-29)14-15-31)16-22(27-24(21)30)19-4-2-1-3-5-19/h1-9,16-17,31H,10-15H2
InChIKeyGKIKIUKKCFXAHS-UHFFFAOYSA-N
XLogP3.83
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol (CID 4970369) is 2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2cc(-c3ccccc3)nc3c(-c4ccc(Cl)cc4)cnn23)CC1.
What is the InChIKey of 2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol?
The InChIKey is GKIKIUKKCFXAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c25-20-8-6-18(7-9-20)21-17-26-30-23(29-12-10-28(11-13-29)14-15-31)16-22(27-24(21)30)19-4-2-1-3-5-19/h1-9,16-17,31H,10-15H2.
What are the key properties of 2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol?
2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol has a molecular weight of 433.94 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 4970369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).