[7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol

C13H13FN4O — CID 91035203

IUPAC[7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol
SMILESNC1C(CO)C=Nc2cc(-c3ccc(F)cc3)nn21
InChIInChI=1S/C13H13FN4O/c14-10-3-1-8(2-4-10)11-5-12-16-6-9(7-19)13(15)18(12)17-11/h1-6,9,13,19H,7,15H2
InChIKeyPACBRZGQAKJQNS-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.47
Rot. Bonds2

About [7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol

[7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol (PubChem CID 91035203) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is [7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol.

Molecular Properties

Compound Name[7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol
PubChem CID91035203
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name[7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol
SMILESNC1C(CO)C=Nc2cc(-c3ccc(F)cc3)nn21
InChIInChI=1S/C13H13FN4O/c14-10-3-1-8(2-4-10)11-5-12-16-6-9(7-19)13(15)18(12)17-11/h1-6,9,13,19H,7,15H2
InChIKeyPACBRZGQAKJQNS-UHFFFAOYSA-N
XLogP1.47
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol?
The IUPAC name of [7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol (CID 91035203) is [7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol.
What is the SMILES notation for [7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol?
The canonical SMILES for [7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol is NC1C(CO)C=Nc2cc(-c3ccc(F)cc3)nn21.
What is the InChIKey of [7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol?
The InChIKey is PACBRZGQAKJQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c14-10-3-1-8(2-4-10)11-5-12-16-6-9(7-19)13(15)18(12)17-11/h1-6,9,13,19H,7,15H2.
What are the key properties of [7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol?
[7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol has a molecular weight of 260.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol is sourced from PubChem (CID 91035203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).