3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol

C21H19N3O — CID 58691597

IUPAC3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol
SMILESOCCCc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2)cc1
InChIInChI=1S/C21H19N3O/c25-12-4-5-16-8-10-17(11-9-16)19-13-22-21-20(14-23-24(21)15-19)18-6-2-1-3-7-18/h1-3,6-11,13-15,25H,4-5,12H2
InChIKeyILOITKSZJWFBCA-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.99
Rot. Bonds5

About 3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol

3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol (PubChem CID 58691597) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol
PubChem CID58691597
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol
SMILESOCCCc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2)cc1
InChIInChI=1S/C21H19N3O/c25-12-4-5-16-8-10-17(11-9-16)19-13-22-21-20(14-23-24(21)15-19)18-6-2-1-3-7-18/h1-3,6-11,13-15,25H,4-5,12H2
InChIKeyILOITKSZJWFBCA-UHFFFAOYSA-N
XLogP3.99
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol?
The IUPAC name of 3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol (CID 58691597) is 3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol?
The canonical SMILES for 3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol is OCCCc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2)cc1.
What is the InChIKey of 3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol?
The InChIKey is ILOITKSZJWFBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-12-4-5-16-8-10-17(11-9-16)19-13-22-21-20(14-23-24(21)15-19)18-6-2-1-3-7-18/h1-3,6-11,13-15,25H,4-5,12H2.
What are the key properties of 3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol?
3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol has a molecular weight of 329.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol is sourced from PubChem (CID 58691597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).