N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C24H20F3N7 — CID 55590946

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C24H20F3N7/c1-16-12-20(34-23(29-16)30-22(32-34)24(25,26)27)28-13-19-15-33(14-17-8-4-2-5-9-17)31-21(19)18-10-6-3-7-11-18/h2-12,15,28H,13-14H2,1H3
InChIKeyGGIKHQAKVMAIGH-UHFFFAOYSA-N
MW463.47 g/mol
LogP4.98
Rot. Bonds6

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 55590946) has the molecular formula C24H20F3N7 and a molecular weight of 463.47 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID55590946
Molecular FormulaC24H20F3N7
Molecular Weight463.47 g/mol
Exact Mass463.17
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C24H20F3N7/c1-16-12-20(34-23(29-16)30-22(32-34)24(25,26)27)28-13-19-15-33(14-17-8-4-2-5-9-17)31-21(19)18-10-6-3-7-11-18/h2-12,15,28H,13-14H2,1H3
InChIKeyGGIKHQAKVMAIGH-UHFFFAOYSA-N
XLogP4.98
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133287054
N-(1-benzylpyrazol-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133289683
(2S)-2-N-benzyl-3,3,3-trifluoro-1-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propane-1,2-diamine
CID 124721244
N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279688
5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133439798
N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 49430311
5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453467
7-(4-benzylpiperazin-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4911740
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
5-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 127265997
5-methyl-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 97340074
N-ethyl-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961806

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 55590946) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GGIKHQAKVMAIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7/c1-16-12-20(34-23(29-16)30-22(32-34)24(25,26)27)28-13-19-15-33(14-17-8-4-2-5-9-17)31-21(19)18-10-6-3-7-11-18/h2-12,15,28H,13-14H2,1H3.
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 463.47 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 55590946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).