5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H24N4O2 — CID 98186788

IUPAC5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)[C@H](CO)N(Cc1ccccc1)Cc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C19H24N4O2/c1-14(2)17(13-24)22(11-15-6-4-3-5-7-15)12-16-10-19(25)23-18(21-16)8-9-20-23/h3-10,14,17,20,24H,11-13H2,1-2H3/t17-/m0/s1
InChIKeyFICUXEJFPSLGMY-KRWDZBQOSA-N
MW340.43 g/mol
LogP2.04
Rot. Bonds7

About 5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98186788) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98186788
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)[C@H](CO)N(Cc1ccccc1)Cc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C19H24N4O2/c1-14(2)17(13-24)22(11-15-6-4-3-5-7-15)12-16-10-19(25)23-18(21-16)8-9-20-23/h3-10,14,17,20,24H,11-13H2,1-2H3/t17-/m0/s1
InChIKeyFICUXEJFPSLGMY-KRWDZBQOSA-N
XLogP2.04
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98186788) is 5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)[C@H](CO)N(Cc1ccccc1)Cc1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FICUXEJFPSLGMY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(2)17(13-24)22(11-15-6-4-3-5-7-15)12-16-10-19(25)23-18(21-16)8-9-20-23/h3-10,14,17,20,24H,11-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 340.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98186788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).