1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone

C21H25N5O2 — CID 16674762

IUPAC1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(-c2c(C)nn3c(N4CCN(C(C)=O)CC4)cc(C)nc23)cc1
InChIInChI=1S/C21H25N5O2/c1-14-13-19(25-11-9-24(10-12-25)16(3)27)26-21(22-14)20(15(2)23-26)17-5-7-18(28-4)8-6-17/h5-8,13H,9-12H2,1-4H3
InChIKeyPOUXVYKHPXNVFR-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.69
Rot. Bonds3

About 1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone

1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone (PubChem CID 16674762) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
PubChem CID16674762
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(-c2c(C)nn3c(N4CCN(C(C)=O)CC4)cc(C)nc23)cc1
InChIInChI=1S/C21H25N5O2/c1-14-13-19(25-11-9-24(10-12-25)16(3)27)26-21(22-14)20(15(2)23-26)17-5-7-18(28-4)8-6-17/h5-8,13H,9-12H2,1-4H3
InChIKeyPOUXVYKHPXNVFR-UHFFFAOYSA-N
XLogP2.69
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 16668295
7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 20861586
ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
CID 4179581
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine
CID 7599051
3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 46299110
2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 16668304
7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 3785760
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 142400735
1-[4-[10-(4-fluorophenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]piperazin-1-yl]ethanone
CID 16668280
2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol
CID 7740141
[1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 92665010
7-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 46299337

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone (CID 16674762) is 1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone is COc1ccc(-c2c(C)nn3c(N4CCN(C(C)=O)CC4)cc(C)nc23)cc1.
What is the InChIKey of 1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone?
The InChIKey is POUXVYKHPXNVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-13-19(25-11-9-24(10-12-25)16(3)27)26-21(22-14)20(15(2)23-26)17-5-7-18(28-4)8-6-17/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone?
1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone has a molecular weight of 379.46 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 16674762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).