7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

C20H25N5 — CID 4903337

IUPAC7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCN1CCN(c2cc(C)nc3c(-c4ccc(C)cc4)cnn23)CC1
InChIInChI=1S/C20H25N5/c1-4-23-9-11-24(12-10-23)19-13-16(3)22-20-18(14-21-25(19)20)17-7-5-15(2)6-8-17/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyZYJXWGHAZYIXTB-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.16
Rot. Bonds3

About 7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 4903337) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID4903337
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCN1CCN(c2cc(C)nc3c(-c4ccc(C)cc4)cnn23)CC1
InChIInChI=1S/C20H25N5/c1-4-23-9-11-24(12-10-23)19-13-16(3)22-20-18(14-21-25(19)20)17-7-5-15(2)6-8-17/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyZYJXWGHAZYIXTB-UHFFFAOYSA-N
XLogP3.16
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 4903337) is 7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is CCN1CCN(c2cc(C)nc3c(-c4ccc(C)cc4)cnn23)CC1.
What is the InChIKey of 7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ZYJXWGHAZYIXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-4-23-9-11-24(12-10-23)19-13-16(3)22-20-18(14-21-25(19)20)17-7-5-15(2)6-8-17/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of 7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 335.46 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4903337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).