1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol

C15H14BrFN4O — CID 167836188

IUPAC1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol
SMILESOC(CNc1ccn2ncc(Br)c2n1)Cc1ccc(F)cc1
InChIInChI=1S/C15H14BrFN4O/c16-13-9-19-21-6-5-14(20-15(13)21)18-8-12(22)7-10-1-3-11(17)4-2-10/h1-6,9,12,22H,7-8H2,(H,18,20)
InChIKeyMSZUUIBJCWLJJU-UHFFFAOYSA-N
MW365.21 g/mol
LogP2.65
Rot. Bonds5

About 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol

1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol (PubChem CID 167836188) has the molecular formula C15H14BrFN4O and a molecular weight of 365.21 g/mol. Its IUPAC name is 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol
PubChem CID167836188
Molecular FormulaC15H14BrFN4O
Molecular Weight365.21 g/mol
Exact Mass364.03
IUPAC Name1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol
SMILESOC(CNc1ccn2ncc(Br)c2n1)Cc1ccc(F)cc1
InChIInChI=1S/C15H14BrFN4O/c16-13-9-19-21-6-5-14(20-15(13)21)18-8-12(22)7-10-1-3-11(17)4-2-10/h1-6,9,12,22H,7-8H2,(H,18,20)
InChIKeyMSZUUIBJCWLJJU-UHFFFAOYSA-N
XLogP2.65
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol (CID 167836188) is 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol is OC(CNc1ccn2ncc(Br)c2n1)Cc1ccc(F)cc1.
What is the InChIKey of 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol?
The InChIKey is MSZUUIBJCWLJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN4O/c16-13-9-19-21-6-5-14(20-15(13)21)18-8-12(22)7-10-1-3-11(17)4-2-10/h1-6,9,12,22H,7-8H2,(H,18,20).
What are the key properties of 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol?
1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol has a molecular weight of 365.21 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 167836188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).