2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol

C16H16BrFN4O — CID 166250632

IUPAC2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol
SMILESCC(NCc1cnn2cc(Br)cnc12)C(O)c1cccc(F)c1
InChIInChI=1S/C16H16BrFN4O/c1-10(15(23)11-3-2-4-14(18)5-11)19-6-12-7-21-22-9-13(17)8-20-16(12)22/h2-5,7-10,15,19,23H,6H2,1H3
InChIKeyLHBAKHJFKCCMSJ-UHFFFAOYSA-N
MW379.23 g/mol
LogP2.84
Rot. Bonds5

About 2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol

2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol (PubChem CID 166250632) has the molecular formula C16H16BrFN4O and a molecular weight of 379.23 g/mol. Its IUPAC name is 2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol
PubChem CID166250632
Molecular FormulaC16H16BrFN4O
Molecular Weight379.23 g/mol
Exact Mass378.05
IUPAC Name2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol
SMILESCC(NCc1cnn2cc(Br)cnc12)C(O)c1cccc(F)c1
InChIInChI=1S/C16H16BrFN4O/c1-10(15(23)11-3-2-4-14(18)5-11)19-6-12-7-21-22-9-13(17)8-20-16(12)22/h2-5,7-10,15,19,23H,6H2,1H3
InChIKeyLHBAKHJFKCCMSJ-UHFFFAOYSA-N
XLogP2.84
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol (CID 166250632) is 2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol is CC(NCc1cnn2cc(Br)cnc12)C(O)c1cccc(F)c1.
What is the InChIKey of 2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is LHBAKHJFKCCMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN4O/c1-10(15(23)11-3-2-4-14(18)5-11)19-6-12-7-21-22-9-13(17)8-20-16(12)22/h2-5,7-10,15,19,23H,6H2,1H3.
What are the key properties of 2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol?
2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 379.23 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 166250632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).