[2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone

C21H25N5O — CID 166361882

IUPAC[2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone
SMILESCC(C)(C)c1ccc(C2CNCCN2C(=O)c2ccn3nccc3n2)cc1
InChIInChI=1S/C21H25N5O/c1-21(2,3)16-6-4-15(5-7-16)18-14-22-11-13-25(18)20(27)17-9-12-26-19(24-17)8-10-23-26/h4-10,12,18,22H,11,13-14H2,1-3H3
InChIKeyWTKDLISXVWNMKW-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.81
Rot. Bonds2

About [2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone

[2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone (PubChem CID 166361882) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone
PubChem CID166361882
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name[2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone
SMILESCC(C)(C)c1ccc(C2CNCCN2C(=O)c2ccn3nccc3n2)cc1
InChIInChI=1S/C21H25N5O/c1-21(2,3)16-6-4-15(5-7-16)18-14-22-11-13-25(18)20(27)17-9-12-26-19(24-17)8-10-23-26/h4-10,12,18,22H,11,13-14H2,1-3H3
InChIKeyWTKDLISXVWNMKW-UHFFFAOYSA-N
XLogP2.81
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone with MolForge

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Related Compounds

(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone
CID 125020826
(2-methylpyrazol-3-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 124995782
6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one
CID 124948429
imidazo[1,2-a]pyridin-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877946
[2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 110109389
1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 110257792
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 124944166
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735632
isoquinolin-1-yl-[2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110109418
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 120735841

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone?
The IUPAC name of [2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone (CID 166361882) is [2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone.
What is the SMILES notation for [2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone?
The canonical SMILES for [2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone is CC(C)(C)c1ccc(C2CNCCN2C(=O)c2ccn3nccc3n2)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone?
The InChIKey is WTKDLISXVWNMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-21(2,3)16-6-4-15(5-7-16)18-14-22-11-13-25(18)20(27)17-9-12-26-19(24-17)8-10-23-26/h4-10,12,18,22H,11,13-14H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone?
[2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone has a molecular weight of 363.47 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanone is sourced from PubChem (CID 166361882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).