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

C18H20ClN5O — CID 86659721

IUPAC2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(Cl)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C18H20ClN5O/c19-16-13-18(23-8-6-22(7-9-23)10-11-25)24-17(20-16)12-15(21-24)14-4-2-1-3-5-14/h1-5,12-13,25H,6-11H2
InChIKeyXBBMUQFYRASTQM-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.16
Rot. Bonds4

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

2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol (PubChem CID 86659721) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol
PubChem CID86659721
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(Cl)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C18H20ClN5O/c19-16-13-18(23-8-6-22(7-9-23)10-11-25)24-17(20-16)12-15(21-24)14-4-2-1-3-5-14/h1-5,12-13,25H,6-11H2
InChIKeyXBBMUQFYRASTQM-UHFFFAOYSA-N
XLogP2.16
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol (CID 86659721) is 2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol is OCCN1CCN(c2cc(Cl)nc3cc(-c4ccccc4)nn23)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol?
The InChIKey is XBBMUQFYRASTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c19-16-13-18(23-8-6-22(7-9-23)10-11-25)24-17(20-16)12-15(21-24)14-4-2-1-3-5-14/h1-5,12-13,25H,6-11H2.
What are the key properties of 2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol?
2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol has a molecular weight of 357.85 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 86659721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).