2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol

C18H20ClN5O — CID 166271047

IUPAC2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol
SMILESOCC(c1ccc(Cl)cc1)N1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C18H20ClN5O/c19-15-3-1-14(2-4-15)16(13-25)22-9-11-23(12-10-22)17-6-8-24-18(21-17)5-7-20-24/h1-8,16,25H,9-13H2
InChIKeyGISOHDZDNDKPLL-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.24
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol

2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol (PubChem CID 166271047) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol
PubChem CID166271047
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol
SMILESOCC(c1ccc(Cl)cc1)N1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C18H20ClN5O/c19-15-3-1-14(2-4-15)16(13-25)22-9-11-23(12-10-22)17-6-8-24-18(21-17)5-7-20-24/h1-8,16,25H,9-13H2
InChIKeyGISOHDZDNDKPLL-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol (CID 166271047) is 2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol is OCC(c1ccc(Cl)cc1)N1CCN(c2ccn3nccc3n2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol?
The InChIKey is GISOHDZDNDKPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c19-15-3-1-14(2-4-15)16(13-25)22-9-11-23(12-10-22)17-6-8-24-18(21-17)5-7-20-24/h1-8,16,25H,9-13H2.
What are the key properties of 2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol?
2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol has a molecular weight of 357.85 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 166271047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).