N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine

C14H11F3N4 — CID 115372312

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)c1cccc(CNc2ccn3nccc3n2)c1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)11-3-1-2-10(8-11)9-18-12-5-7-21-13(20-12)4-6-19-21/h1-8H,9H2,(H,18,20)
InChIKeyMFYQPJZETTUAGY-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.36
Rot. Bonds3

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

N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115372312) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115372312
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)c1cccc(CNc2ccn3nccc3n2)c1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)11-3-1-2-10(8-11)9-18-12-5-7-21-13(20-12)4-6-19-21/h1-8H,9H2,(H,18,20)
InChIKeyMFYQPJZETTUAGY-UHFFFAOYSA-N
XLogP3.36
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372545
2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80771252
N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 59803892
3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51300733
N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 95803520
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine
CID 75358121
1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine
CID 166246765
2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 80939664
N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372581
6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 122282471
N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372644

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 115372312) is N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine is FC(F)(F)c1cccc(CNc2ccn3nccc3n2)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is MFYQPJZETTUAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)11-3-1-2-10(8-11)9-18-12-5-7-21-13(20-12)4-6-19-21/h1-8H,9H2,(H,18,20).
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 292.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115372312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).