2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C13H11FN4 — CID 117103364

IUPAC2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2cc(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C13H11FN4/c14-10-3-1-9(2-4-10)7-11-8-13-16-6-5-12(15)18(13)17-11/h1-6,8H,7,15H2
InChIKeyMUUSVAYBNSIVNS-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.04
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 117103364) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID117103364
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2cc(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C13H11FN4/c14-10-3-1-9(2-4-10)7-11-8-13-16-6-5-12(15)18(13)17-11/h1-6,8H,7,15H2
InChIKeyMUUSVAYBNSIVNS-UHFFFAOYSA-N
XLogP2.04
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 117103364) is 2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Nc1ccnc2cc(Cc3ccc(F)cc3)nn12.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MUUSVAYBNSIVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c14-10-3-1-9(2-4-10)7-11-8-13-16-6-5-12(15)18(13)17-11/h1-6,8H,7,15H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 242.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 117103364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).