6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine

C9H9FN4 — CID 175870951

IUPAC6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESC=CCc1c(N)nn2cc(F)cnc12
InChIInChI=1S/C9H9FN4/c1-2-3-7-8(11)13-14-5-6(10)4-12-9(7)14/h2,4-5H,1,3H2,(H2,11,13)
InChIKeyRVHAYKHOOXNHNH-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.18
Rot. Bonds2

About 6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine

6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 175870951) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID175870951
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESC=CCc1c(N)nn2cc(F)cnc12
InChIInChI=1S/C9H9FN4/c1-2-3-7-8(11)13-14-5-6(10)4-12-9(7)14/h2,4-5H,1,3H2,(H2,11,13)
InChIKeyRVHAYKHOOXNHNH-UHFFFAOYSA-N
XLogP1.18
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine (CID 175870951) is 6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine is C=CCc1c(N)nn2cc(F)cnc12.
What is the InChIKey of 6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is RVHAYKHOOXNHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c1-2-3-7-8(11)13-14-5-6(10)4-12-9(7)14/h2,4-5H,1,3H2,(H2,11,13).
What are the key properties of 6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine?
6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 192.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 175870951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).