2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C21H15F2N7 — CID 139224886

IUPAC2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESNc1cc(-c2ccc(F)cc2)n2nc(-n3nc(-c4ccc(F)cc4)cc3N)cc2n1
InChIInChI=1S/C21H15F2N7/c22-14-5-1-12(2-6-14)16-9-19(25)30(27-16)21-11-20-26-18(24)10-17(29(20)28-21)13-3-7-15(23)8-4-13/h1-11H,25H2,(H2,24,26)
InChIKeyVNLUGPCTKOOJPC-UHFFFAOYSA-N
MW403.40 g/mol
LogP3.69
Rot. Bonds3

About 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine

2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 139224886) has the molecular formula C21H15F2N7 and a molecular weight of 403.40 g/mol. Its IUPAC name is 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID139224886
Molecular FormulaC21H15F2N7
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC Name2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESNc1cc(-c2ccc(F)cc2)n2nc(-n3nc(-c4ccc(F)cc4)cc3N)cc2n1
InChIInChI=1S/C21H15F2N7/c22-14-5-1-12(2-6-14)16-9-19(25)30(27-16)21-11-20-26-18(24)10-17(29(20)28-21)13-3-7-15(23)8-4-13/h1-11H,25H2,(H2,24,26)
InChIKeyVNLUGPCTKOOJPC-UHFFFAOYSA-N
XLogP3.69
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 139224886) is 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine is Nc1cc(-c2ccc(F)cc2)n2nc(-n3nc(-c4ccc(F)cc4)cc3N)cc2n1.
What is the InChIKey of 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is VNLUGPCTKOOJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N7/c22-14-5-1-12(2-6-14)16-9-19(25)30(27-16)21-11-20-26-18(24)10-17(29(20)28-21)13-3-7-15(23)8-4-13/h1-11H,25H2,(H2,24,26).
What are the key properties of 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 403.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 139224886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).