5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine

C16H24N6 — CID 138391870

IUPAC5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(C)CC2)n2nc(C3CCCN3)cc2n1
InChIInChI=1S/C16H24N6/c1-12-10-16(21-8-6-20(2)7-9-21)22-15(18-12)11-14(19-22)13-4-3-5-17-13/h10-11,13,17H,3-9H2,1-2H3
InChIKeyZMQDTUKBHLXDDI-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.21
Rot. Bonds2

About 5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine

5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 138391870) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID138391870
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(C)CC2)n2nc(C3CCCN3)cc2n1
InChIInChI=1S/C16H24N6/c1-12-10-16(21-8-6-20(2)7-9-21)22-15(18-12)11-14(19-22)13-4-3-5-17-13/h10-11,13,17H,3-9H2,1-2H3
InChIKeyZMQDTUKBHLXDDI-UHFFFAOYSA-N
XLogP1.21
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine (CID 138391870) is 5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(C)CC2)n2nc(C3CCCN3)cc2n1.
What is the InChIKey of 5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZMQDTUKBHLXDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-12-10-16(21-8-6-20(2)7-9-21)22-15(18-12)11-14(19-22)13-4-3-5-17-13/h10-11,13,17H,3-9H2,1-2H3.
What are the key properties of 5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine?
5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 300.41 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 138391870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).