5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine

C18H25N7 — CID 53183289

IUPAC5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCCCCN1CCN(c2cc(-n3ccnc3C)n3nccc3n2)CC1
InChIInChI=1S/C18H25N7/c1-3-4-8-22-10-12-23(13-11-22)17-14-18(24-9-7-19-15(24)2)25-16(21-17)5-6-20-25/h5-7,9,14H,3-4,8,10-13H2,1-2H3
InChIKeyVBYDBQKPYYUSQB-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.15
Rot. Bonds5

About 5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine

5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 53183289) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID53183289
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCCCCN1CCN(c2cc(-n3ccnc3C)n3nccc3n2)CC1
InChIInChI=1S/C18H25N7/c1-3-4-8-22-10-12-23(13-11-22)17-14-18(24-9-7-19-15(24)2)25-16(21-17)5-6-20-25/h5-7,9,14H,3-4,8,10-13H2,1-2H3
InChIKeyVBYDBQKPYYUSQB-UHFFFAOYSA-N
XLogP2.15
TPSA54.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine (CID 53183289) is 5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine is CCCCN1CCN(c2cc(-n3ccnc3C)n3nccc3n2)CC1.
What is the InChIKey of 5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is VBYDBQKPYYUSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-3-4-8-22-10-12-23(13-11-22)17-14-18(24-9-7-19-15(24)2)25-16(21-17)5-6-20-25/h5-7,9,14H,3-4,8,10-13H2,1-2H3.
What are the key properties of 5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine?
5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 339.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylpiperazin-1-yl)-7-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53183289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).