1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone

C17H18F3N7O — CID 133423239

IUPAC1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone
SMILESCc1cc(N2CCCC2CC(=O)c2cnn(C)c2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C17H18F3N7O/c1-10-6-14(27-16(22-10)23-15(24-27)17(18,19)20)26-5-3-4-12(26)7-13(28)11-8-21-25(2)9-11/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyQWCQLXOBJXGGAQ-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.43
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone

1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone (PubChem CID 133423239) has the molecular formula C17H18F3N7O and a molecular weight of 393.37 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone
PubChem CID133423239
Molecular FormulaC17H18F3N7O
Molecular Weight393.37 g/mol
Exact Mass393.15
IUPAC Name1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone
SMILESCc1cc(N2CCCC2CC(=O)c2cnn(C)c2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C17H18F3N7O/c1-10-6-14(27-16(22-10)23-15(24-27)17(18,19)20)26-5-3-4-12(26)7-13(28)11-8-21-25(2)9-11/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyQWCQLXOBJXGGAQ-UHFFFAOYSA-N
XLogP2.43
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1,5-Dimethylpyrazol-4-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110238600
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19575804
[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 118667227
3-(Cyclopropylmethyl)-1-[5-[2-(3-fluoro-5,6-dimethylcyclohepta-1,3,6-trien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one
CID 123960895
[2-(6-Methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 124000113
1-[5-[(5S)-5-amino-3,3-difluorocyclohexyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-(difluoromethyl)-5-methylpyrazol-3-yl]ethanone
CID 138727726
[(2S)-2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 144302712
N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 155441424
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 159301414
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 159663480
1-[5-(Cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone
CID 160794204
2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-[5-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 161430045

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone (CID 133423239) is 1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone is Cc1cc(N2CCCC2CC(=O)c2cnn(C)c2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone?
The InChIKey is QWCQLXOBJXGGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7O/c1-10-6-14(27-16(22-10)23-15(24-27)17(18,19)20)26-5-3-4-12(26)7-13(28)11-8-21-25(2)9-11/h6,8-9,12H,3-5,7H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone?
1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone has a molecular weight of 393.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 133423239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).