1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol

C17H19FN4O — CID 56905102

IUPAC1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
SMILESCC(C)c1cc(NCC(O)c2ccc(F)cc2)n2nccc2n1
InChIInChI=1S/C17H19FN4O/c1-11(2)14-9-17(22-16(21-14)7-8-20-22)19-10-15(23)12-3-5-13(18)6-4-12/h3-9,11,15,19,23H,10H2,1-2H3
InChIKeyYOZWCSMRQBVLDM-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.14
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol

1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol (PubChem CID 56905102) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
PubChem CID56905102
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
SMILESCC(C)c1cc(NCC(O)c2ccc(F)cc2)n2nccc2n1
InChIInChI=1S/C17H19FN4O/c1-11(2)14-9-17(22-16(21-14)7-8-20-22)19-10-15(23)12-3-5-13(18)6-4-12/h3-9,11,15,19,23H,10H2,1-2H3
InChIKeyYOZWCSMRQBVLDM-UHFFFAOYSA-N
XLogP3.14
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol (CID 56905102) is 1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol is CC(C)c1cc(NCC(O)c2ccc(F)cc2)n2nccc2n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The InChIKey is YOZWCSMRQBVLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-11(2)14-9-17(22-16(21-14)7-8-20-22)19-10-15(23)12-3-5-13(18)6-4-12/h3-9,11,15,19,23H,10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol has a molecular weight of 314.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol is sourced from PubChem (CID 56905102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).