5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one

C12H18N4O — CID 82271172

IUPAC5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1c(CN)cc(=O)n2nc(C(C)(C)C)cc12
InChIInChI=1S/C12H18N4O/c1-12(2,3)9-6-10-15(4)8(7-13)5-11(17)16(10)14-9/h5-6H,7,13H2,1-4H3
InChIKeyJESFULONRDMAIN-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.79
Rot. Bonds1

About 5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one

5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271172) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271172
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1c(CN)cc(=O)n2nc(C(C)(C)C)cc12
InChIInChI=1S/C12H18N4O/c1-12(2,3)9-6-10-15(4)8(7-13)5-11(17)16(10)14-9/h5-6H,7,13H2,1-4H3
InChIKeyJESFULONRDMAIN-UHFFFAOYSA-N
XLogP0.79
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one (CID 82271172) is 5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one is Cn1c(CN)cc(=O)n2nc(C(C)(C)C)cc12.
What is the InChIKey of 5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JESFULONRDMAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(2,3)9-6-10-15(4)8(7-13)5-11(17)16(10)14-9/h5-6H,7,13H2,1-4H3.
What are the key properties of 5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one?
5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 234.30 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).