5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one

C12H18N4O — CID 82271236

IUPAC5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1cc2n(C)c(CCN)cc(=O)n2n1
InChIInChI=1S/C12H18N4O/c1-8(2)10-7-11-15(3)9(4-5-13)6-12(17)16(11)14-10/h6-8H,4-5,13H2,1-3H3
InChIKeyFRTBTSHHTSMOLT-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.66
Rot. Bonds3

About 5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one

5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271236) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271236
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1cc2n(C)c(CCN)cc(=O)n2n1
InChIInChI=1S/C12H18N4O/c1-8(2)10-7-11-15(3)9(4-5-13)6-12(17)16(11)14-10/h6-8H,4-5,13H2,1-3H3
InChIKeyFRTBTSHHTSMOLT-UHFFFAOYSA-N
XLogP0.66
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 82271236) is 5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one is CC(C)c1cc2n(C)c(CCN)cc(=O)n2n1.
What is the InChIKey of 5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FRTBTSHHTSMOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8(2)10-7-11-15(3)9(4-5-13)6-12(17)16(11)14-10/h6-8H,4-5,13H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 234.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).