N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine

C13H10BrFN4 — CID 115372443

IUPACN-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFc1ccc(Br)cc1CNc1ccn2nccc2n1
InChIInChI=1S/C13H10BrFN4/c14-10-1-2-11(15)9(7-10)8-16-12-4-6-19-13(18-12)3-5-17-19/h1-7H,8H2,(H,16,18)
InChIKeyTXSDARGOXXTHOZ-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.24
Rot. Bonds3

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

N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115372443) has the molecular formula C13H10BrFN4 and a molecular weight of 321.15 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115372443
Molecular FormulaC13H10BrFN4
Molecular Weight321.15 g/mol
Exact Mass320.01
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFc1ccc(Br)cc1CNc1ccn2nccc2n1
InChIInChI=1S/C13H10BrFN4/c14-10-1-2-11(15)9(7-10)8-16-12-4-6-19-13(18-12)3-5-17-19/h1-7H,8H2,(H,16,18)
InChIKeyTXSDARGOXXTHOZ-UHFFFAOYSA-N
XLogP3.24
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296642
N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372482
N-[(2-ethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372598
N-(quinolin-8-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372657
N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372431
N-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372377
N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372312
N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine
CID 63590046
N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
CID 47184777
N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 106194284
N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 43732956
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 115372443) is N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine is Fc1ccc(Br)cc1CNc1ccn2nccc2n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is TXSDARGOXXTHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4/c14-10-1-2-11(15)9(7-10)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-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 321.15 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115372443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).