2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol

C19H23N5O — CID 56704340

IUPAC2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC1
InChIInChI=1S/C19H23N5O/c25-11-10-22-6-8-23(9-7-22)14-16-12-20-19-18(13-21-24(19)15-16)17-4-2-1-3-5-17/h1-5,12-13,15,25H,6-11,14H2
InChIKeyJOMAVBHTZNAPPG-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.51
Rot. Bonds5

About 2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 56704340) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol
PubChem CID56704340
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC1
InChIInChI=1S/C19H23N5O/c25-11-10-22-6-8-23(9-7-22)14-16-12-20-19-18(13-21-24(19)15-16)17-4-2-1-3-5-17/h1-5,12-13,15,25H,6-11,14H2
InChIKeyJOMAVBHTZNAPPG-UHFFFAOYSA-N
XLogP1.51
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol (CID 56704340) is 2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC1.
What is the InChIKey of 2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is JOMAVBHTZNAPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-11-10-22-6-8-23(9-7-22)14-16-12-20-19-18(13-21-24(19)15-16)17-4-2-1-3-5-17/h1-5,12-13,15,25H,6-11,14H2.
What are the key properties of 2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 337.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 56704340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).