3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol

C19H23FN4O — CID 3231333

IUPAC3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
SMILESCCc1nn2c(NCCCO)c(C)c(C)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O/c1-4-16-17(14-6-8-15(20)9-7-14)19-22-13(3)12(2)18(24(19)23-16)21-10-5-11-25/h6-9,21,25H,4-5,10-11H2,1-3H3
InChIKeyXINHEKOBCFEVMY-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.51
Rot. Bonds6

About 3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol

3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol (PubChem CID 3231333) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
PubChem CID3231333
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
SMILESCCc1nn2c(NCCCO)c(C)c(C)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O/c1-4-16-17(14-6-8-15(20)9-7-14)19-22-13(3)12(2)18(24(19)23-16)21-10-5-11-25/h6-9,21,25H,4-5,10-11H2,1-3H3
InChIKeyXINHEKOBCFEVMY-UHFFFAOYSA-N
XLogP3.51
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.51
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-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The IUPAC name of 3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol (CID 3231333) is 3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol is CCc1nn2c(NCCCO)c(C)c(C)nc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The InChIKey is XINHEKOBCFEVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-4-16-17(14-6-8-15(20)9-7-14)19-22-13(3)12(2)18(24(19)23-16)21-10-5-11-25/h6-9,21,25H,4-5,10-11H2,1-3H3.
What are the key properties of 3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol has a molecular weight of 342.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-3-(4-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol is sourced from PubChem (CID 3231333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).