3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

C20H25N5O — CID 16668295

IUPAC3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c(N4CCN(C)CC4)cc(C)nc23)cc1
InChIInChI=1S/C20H25N5O/c1-14-13-18(24-11-9-23(3)10-12-24)25-20(21-14)19(15(2)22-25)16-5-7-17(26-4)8-6-16/h5-8,13H,9-12H2,1-4H3
InChIKeyMNBQXIXKARNZNH-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.77
Rot. Bonds3

About 3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 16668295) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID16668295
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c(N4CCN(C)CC4)cc(C)nc23)cc1
InChIInChI=1S/C20H25N5O/c1-14-13-18(24-11-9-23(3)10-12-24)25-20(21-14)19(15(2)22-25)16-5-7-17(26-4)8-6-16/h5-8,13H,9-12H2,1-4H3
InChIKeyMNBQXIXKARNZNH-UHFFFAOYSA-N
XLogP2.77
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 16668295) is 3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2c(C)nn3c(N4CCN(C)CC4)cc(C)nc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MNBQXIXKARNZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-13-18(24-11-9-23(3)10-12-24)25-20(21-14)19(15(2)22-25)16-5-7-17(26-4)8-6-16/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 351.45 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 16668295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).