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

C18H22N4O — CID 56908059

IUPAC3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCCc1cc(N(C)CCC(O)c2ccccc2)n2nccc2n1
InChIInChI=1S/C18H22N4O/c1-3-15-13-18(22-17(20-15)9-11-19-22)21(2)12-10-16(23)14-7-5-4-6-8-14/h4-9,11,13,16,23H,3,10,12H2,1-2H3
InChIKeyUBQVIROWYOOKTF-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.85
Rot. Bonds6

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

3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol (PubChem CID 56908059) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol
PubChem CID56908059
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCCc1cc(N(C)CCC(O)c2ccccc2)n2nccc2n1
InChIInChI=1S/C18H22N4O/c1-3-15-13-18(22-17(20-15)9-11-19-22)21(2)12-10-16(23)14-7-5-4-6-8-14/h4-9,11,13,16,23H,3,10,12H2,1-2H3
InChIKeyUBQVIROWYOOKTF-UHFFFAOYSA-N
XLogP2.85
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol (CID 56908059) is 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol is CCc1cc(N(C)CCC(O)c2ccccc2)n2nccc2n1.
What is the InChIKey of 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol?
The InChIKey is UBQVIROWYOOKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-15-13-18(22-17(20-15)9-11-19-22)21(2)12-10-16(23)14-7-5-4-6-8-14/h4-9,11,13,16,23H,3,10,12H2,1-2H3.
What are the key properties of 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol?
3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 56908059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).