3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol

C17H19FN4O — CID 3231317

IUPAC3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
SMILESCc1cc(NCCCO)n2nc(C)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C17H19FN4O/c1-11-10-15(19-8-3-9-23)22-17(20-11)16(12(2)21-22)13-4-6-14(18)7-5-13/h4-7,10,19,23H,3,8-9H2,1-2H3
InChIKeySDNOFBZKORDZDV-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.95
Rot. Bonds5

About 3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol

3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol (PubChem CID 3231317) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
PubChem CID3231317
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
SMILESCc1cc(NCCCO)n2nc(C)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C17H19FN4O/c1-11-10-15(19-8-3-9-23)22-17(20-11)16(12(2)21-22)13-4-6-14(18)7-5-13/h4-7,10,19,23H,3,8-9H2,1-2H3
InChIKeySDNOFBZKORDZDV-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The IUPAC name of 3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol (CID 3231317) is 3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol is Cc1cc(NCCCO)n2nc(C)c(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The InChIKey is SDNOFBZKORDZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-11-10-15(19-8-3-9-23)22-17(20-11)16(12(2)21-22)13-4-6-14(18)7-5-13/h4-7,10,19,23H,3,8-9H2,1-2H3.
What are the key properties of 3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol has a molecular weight of 314.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol is sourced from PubChem (CID 3231317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).