5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H23N5O — CID 98127479

IUPAC5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CCc2ccccc2)nc2c(CN3CCNCC3)c[nH]n12
InChIInChI=1S/C19H23N5O/c25-18-12-17(7-6-15-4-2-1-3-5-15)22-19-16(13-21-24(18)19)14-23-10-8-20-9-11-23/h1-5,12-13,20-21H,6-11,14H2
InChIKeyFUJVTVQQPHZSQF-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.21
Rot. Bonds5

About 5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98127479) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98127479
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CCc2ccccc2)nc2c(CN3CCNCC3)c[nH]n12
InChIInChI=1S/C19H23N5O/c25-18-12-17(7-6-15-4-2-1-3-5-15)22-19-16(13-21-24(18)19)14-23-10-8-20-9-11-23/h1-5,12-13,20-21H,6-11,14H2
InChIKeyFUJVTVQQPHZSQF-UHFFFAOYSA-N
XLogP1.21
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98127479) is 5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(CCc2ccccc2)nc2c(CN3CCNCC3)c[nH]n12.
What is the InChIKey of 5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FUJVTVQQPHZSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-18-12-17(7-6-15-4-2-1-3-5-15)22-19-16(13-21-24(18)19)14-23-10-8-20-9-11-23/h1-5,12-13,20-21H,6-11,14H2.
What are the key properties of 5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 337.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98127479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).