1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol

C10H11FN3O- — CID 91149484

IUPAC1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol
SMILESCC[CH-]C(O)c1cnn2cc(F)cnc12
InChIInChI=1S/C10H11FN3O/c1-2-3-9(15)8-5-13-14-6-7(11)4-12-10(8)14/h3-6,9,15H,2H2,1H3/q-1
InChIKeyMAJPHVJHLZGFFL-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.52
Rot. Bonds3

About 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol

1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol (PubChem CID 91149484) has the molecular formula C10H11FN3O- and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol
PubChem CID91149484
Molecular FormulaC10H11FN3O-
Molecular Weight208.22 g/mol
Exact Mass208.09
IUPAC Name1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol
SMILESCC[CH-]C(O)c1cnn2cc(F)cnc12
InChIInChI=1S/C10H11FN3O/c1-2-3-9(15)8-5-13-14-6-7(11)4-12-10(8)14/h3-6,9,15H,2H2,1H3/q-1
InChIKeyMAJPHVJHLZGFFL-UHFFFAOYSA-N
XLogP1.52
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-1-ol
CID 24874171
3-{Pyrazolo[1,5-a]pyrimidin-6-yl}propan-1-ol
CID 12773578
3-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
CID 15578993
3-(2,3-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
CID 47003176
3-(4-Aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol
CID 130427368
8-(2-Butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 130427713
1-(4-Aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol
CID 130427715
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-ol
CID 84802568
3-Amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
CID 84806567
3-Amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
CID 84806723
2-Amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
CID 84806724
1-(6-Fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol
CID 91149485

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol?
The IUPAC name of 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol (CID 91149484) is 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol.
What is the SMILES notation for 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol?
The canonical SMILES for 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol is CC[CH-]C(O)c1cnn2cc(F)cnc12.
What is the InChIKey of 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol?
The InChIKey is MAJPHVJHLZGFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN3O/c1-2-3-9(15)8-5-13-14-6-7(11)4-12-10(8)14/h3-6,9,15H,2H2,1H3/q-1.
What are the key properties of 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol?
1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol has a molecular weight of 208.22 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol is sourced from PubChem (CID 91149484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).