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

C13H11FN4 — CID 113296642

IUPACN-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFc1ccccc1CNc1ccn2nccc2n1
InChIInChI=1S/C13H11FN4/c14-11-4-2-1-3-10(11)9-15-12-6-8-18-13(17-12)5-7-16-18/h1-8H,9H2,(H,15,17)
InChIKeyWQMYVTOQLPEODC-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.48
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 113296642) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID113296642
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC NameN-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFc1ccccc1CNc1ccn2nccc2n1
InChIInChI=1S/C13H11FN4/c14-11-4-2-1-3-10(11)9-15-12-6-8-18-13(17-12)5-7-16-18/h1-8H,9H2,(H,15,17)
InChIKeyWQMYVTOQLPEODC-UHFFFAOYSA-N
XLogP2.48
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372598
N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372443
N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372482
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-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372581
N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372644
N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 43693889
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115373284

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 113296642) is N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine is Fc1ccccc1CNc1ccn2nccc2n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is WQMYVTOQLPEODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c14-11-4-2-1-3-10(11)9-15-12-6-8-18-13(17-12)5-7-16-18/h1-8H,9H2,(H,15,17).
What are the key properties of N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 242.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 113296642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).