5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H23N5O — CID 98513713

IUPAC5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCN(C/C=C\c3ccccc3)CC2)nc2cc[nH]n12
InChIInChI=1S/C20H23N5O/c26-20-15-18(22-19-8-9-21-25(19)20)16-24-13-11-23(12-14-24)10-4-7-17-5-2-1-3-6-17/h1-9,15,21H,10-14,16H2/b7-4-
InChIKeyPXWBULCSVOJDAT-DAXSKMNVSA-N
MW349.44 g/mol
LogP1.85
Rot. Bonds5

About 5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98513713) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98513713
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCN(C/C=C\c3ccccc3)CC2)nc2cc[nH]n12
InChIInChI=1S/C20H23N5O/c26-20-15-18(22-19-8-9-21-25(19)20)16-24-13-11-23(12-14-24)10-4-7-17-5-2-1-3-6-17/h1-9,15,21H,10-14,16H2/b7-4-
InChIKeyPXWBULCSVOJDAT-DAXSKMNVSA-N
XLogP1.85
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-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

Related Compounds

5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 120760812
1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377016
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
2-methylsulfanyl-6-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 74227141
2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 22199821
5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 167972124
1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1376911
1-[(3,4-dichlorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;oxalic acid
CID 163327107
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one
CID 85479721

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98513713) is 5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN2CCN(C/C=C\c3ccccc3)CC2)nc2cc[nH]n12.
What is the InChIKey of 5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PXWBULCSVOJDAT-DAXSKMNVSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20-15-18(22-19-8-9-21-25(19)20)16-24-13-11-23(12-14-24)10-4-7-17-5-2-1-3-6-17/h1-9,15,21H,10-14,16H2/b7-4-.
What are the key properties of 5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 349.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98513713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).