5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C12H8ClFN4 — CID 58938401

IUPAC5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccc(Nc2cc(Cl)nc3ccnn23)cc1
InChIInChI=1S/C12H8ClFN4/c13-10-7-12(18-11(17-10)5-6-15-18)16-9-3-1-8(14)2-4-9/h1-7,16H
InChIKeyPBHIMTFULSRYBP-UHFFFAOYSA-N
MW262.68 g/mol
LogP3.27
Rot. Bonds2

About 5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58938401) has the molecular formula C12H8ClFN4 and a molecular weight of 262.68 g/mol. Its IUPAC name is 5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58938401
Molecular FormulaC12H8ClFN4
Molecular Weight262.68 g/mol
Exact Mass262.04
IUPAC Name5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccc(Nc2cc(Cl)nc3ccnn23)cc1
InChIInChI=1S/C12H8ClFN4/c13-10-7-12(18-11(17-10)5-6-15-18)16-9-3-1-8(14)2-4-9/h1-7,16H
InChIKeyPBHIMTFULSRYBP-UHFFFAOYSA-N
XLogP3.27
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 58938401) is 5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Fc1ccc(Nc2cc(Cl)nc3ccnn23)cc1.
What is the InChIKey of 5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PBHIMTFULSRYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4/c13-10-7-12(18-11(17-10)5-6-15-18)16-9-3-1-8(14)2-4-9/h1-7,16H.
What are the key properties of 5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 262.68 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58938401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).