N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine

C13H10F2N4 — CID 115372482

IUPACN-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFc1ccc(CNc2ccn3nccc3n2)cc1F
InChIInChI=1S/C13H10F2N4/c14-10-2-1-9(7-11(10)15)8-16-12-4-6-19-13(18-12)3-5-17-19/h1-7H,8H2,(H,16,18)
InChIKeyFRZNCYBGDDBFPX-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.62
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115372482) has the molecular formula C13H10F2N4 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115372482
Molecular FormulaC13H10F2N4
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFc1ccc(CNc2ccn3nccc3n2)cc1F
InChIInChI=1S/C13H10F2N4/c14-10-2-1-9(7-11(10)15)8-16-12-4-6-19-13(18-12)3-5-17-19/h1-7H,8H2,(H,16,18)
InChIKeyFRZNCYBGDDBFPX-UHFFFAOYSA-N
XLogP2.62
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 115372482) is N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine is Fc1ccc(CNc2ccn3nccc3n2)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is FRZNCYBGDDBFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4/c14-10-2-1-9(7-11(10)15)8-16-12-4-6-19-13(18-12)3-5-17-19/h1-7H,8H2,(H,16,18).
What are the key properties of N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 260.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115372482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).