N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H14F3N7 — CID 133327165

IUPACN-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(Nc1cc(C(F)(F)F)nc2ncnn12)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H14F3N7/c1-11(12-3-5-13(6-4-12)26-8-2-7-22-26)24-15-9-14(17(18,19)20)25-16-21-10-23-27(15)16/h2-11,24H,1H3
InChIKeyJYTSWVHSJHNYEA-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.50
Rot. Bonds4

About N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133327165) has the molecular formula C17H14F3N7 and a molecular weight of 373.34 g/mol. Its IUPAC name is N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133327165
Molecular FormulaC17H14F3N7
Molecular Weight373.34 g/mol
Exact Mass373.13
IUPAC NameN-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(Nc1cc(C(F)(F)F)nc2ncnn12)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H14F3N7/c1-11(12-3-5-13(6-4-12)26-8-2-7-22-26)24-15-9-14(17(18,19)20)25-16-21-10-23-27(15)16/h2-11,24H,1H3
InChIKeyJYTSWVHSJHNYEA-UHFFFAOYSA-N
XLogP3.50
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133311880
N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine
CID 133327133
N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133350445
N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyridin-2-amine
CID 133327058
(2S,3S)-3-methyl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pentanoic acid
CID 122050380
N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133439544
(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
CID 134611411
N-[(1R)-1-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 134611331
5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 30039075
N-cyclopentyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1429528
N-[1-(4-pyrazol-1-ylphenyl)ethyl]quinolin-2-amine
CID 133327159
5-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 134611496

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133327165) is N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(Nc1cc(C(F)(F)F)nc2ncnn12)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JYTSWVHSJHNYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7/c1-11(12-3-5-13(6-4-12)26-8-2-7-22-26)24-15-9-14(17(18,19)20)25-16-21-10-23-27(15)16/h2-11,24H,1H3.
What are the key properties of N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 373.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133327165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).