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

C12H18N4O — CID 56892682

IUPAC3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]propan-1-ol
SMILESCCc1cc(N(C)CCCO)n2nccc2n1
InChIInChI=1S/C12H18N4O/c1-3-10-9-12(15(2)7-4-8-17)16-11(14-10)5-6-13-16/h5-6,9,17H,3-4,7-8H2,1-2H3
InChIKeyBRXJUWNJZAEZAR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.11
Rot. Bonds5

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

3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]propan-1-ol (PubChem CID 56892682) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]propan-1-ol
PubChem CID56892682
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]propan-1-ol
SMILESCCc1cc(N(C)CCCO)n2nccc2n1
InChIInChI=1S/C12H18N4O/c1-3-10-9-12(15(2)7-4-8-17)16-11(14-10)5-6-13-16/h5-6,9,17H,3-4,7-8H2,1-2H3
InChIKeyBRXJUWNJZAEZAR-UHFFFAOYSA-N
XLogP1.11
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.11
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]propan-1-ol?
The IUPAC name of 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]propan-1-ol (CID 56892682) is 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]propan-1-ol?
The canonical SMILES for 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]propan-1-ol is CCc1cc(N(C)CCCO)n2nccc2n1.
What is the InChIKey of 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]propan-1-ol?
The InChIKey is BRXJUWNJZAEZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-10-9-12(15(2)7-4-8-17)16-11(14-10)5-6-13-16/h5-6,9,17H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]propan-1-ol?
3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]propan-1-ol has a molecular weight of 234.30 g/mol, XLogP of 1.11, 5 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]propan-1-ol is sourced from PubChem (CID 56892682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).