6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C15H20BrN7 — CID 24821246

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCNCCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br
InChIInChI=1S/C15H20BrN7/c1-3-5-18-6-4-12-13(16)14(17)23-15(21-12)11(8-20-23)10-7-19-22(2)9-10/h7-9,18H,3-6,17H2,1-2H3
InChIKeyDZSQIKZOZXPPSJ-UHFFFAOYSA-N
MW378.28 g/mol
LogP2.02
Rot. Bonds6

About 6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24821246) has the molecular formula C15H20BrN7 and a molecular weight of 378.28 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID24821246
Molecular FormulaC15H20BrN7
Molecular Weight378.28 g/mol
Exact Mass377.10
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCNCCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br
InChIInChI=1S/C15H20BrN7/c1-3-5-18-6-4-12-13(16)14(17)23-15(21-12)11(8-20-23)10-7-19-22(2)9-10/h7-9,18H,3-6,17H2,1-2H3
InChIKeyDZSQIKZOZXPPSJ-UHFFFAOYSA-N
XLogP2.02
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 24821246) is 6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCCNCCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DZSQIKZOZXPPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN7/c1-3-5-18-6-4-12-13(16)14(17)23-15(21-12)11(8-20-23)10-7-19-22(2)9-10/h7-9,18H,3-6,17H2,1-2H3.
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 378.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24821246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).