3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol

C18H22N4O2 — CID 56904114

IUPAC3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol
SMILESCOCc1cc(N(C)CCC(O)c2ccccc2)n2nccc2n1
InChIInChI=1S/C18H22N4O2/c1-21(11-9-16(23)14-6-4-3-5-7-14)18-12-15(13-24-2)20-17-8-10-19-22(17)18/h3-8,10,12,16,23H,9,11,13H2,1-2H3
InChIKeyOUAQLTHSOWPQIA-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.44
Rot. Bonds7

About 3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol

3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol (PubChem CID 56904114) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol
PubChem CID56904114
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol
SMILESCOCc1cc(N(C)CCC(O)c2ccccc2)n2nccc2n1
InChIInChI=1S/C18H22N4O2/c1-21(11-9-16(23)14-6-4-3-5-7-14)18-12-15(13-24-2)20-17-8-10-19-22(17)18/h3-8,10,12,16,23H,9,11,13H2,1-2H3
InChIKeyOUAQLTHSOWPQIA-UHFFFAOYSA-N
XLogP2.44
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol (CID 56904114) is 3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol is COCc1cc(N(C)CCC(O)c2ccccc2)n2nccc2n1.
What is the InChIKey of 3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol?
The InChIKey is OUAQLTHSOWPQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21(11-9-16(23)14-6-4-3-5-7-14)18-12-15(13-24-2)20-17-8-10-19-22(17)18/h3-8,10,12,16,23H,9,11,13H2,1-2H3.
What are the key properties of 3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol?
3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol has a molecular weight of 326.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 56904114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).