2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide

C12H13F3N6O — CID 171131122

IUPAC2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide
SMILESCc1ccnn1CC(=O)NN=Cc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C12H13F3N6O/c1-9-2-4-17-21(9)7-11(22)18-16-6-10-3-5-20(19-10)8-12(13,14)15/h2-6H,7-8H2,1H3,(H,18,22)
InChIKeyQEUAEZUPCCKRDE-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.10
Rot. Bonds5

About 2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide

2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide (PubChem CID 171131122) has the molecular formula C12H13F3N6O and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide
PubChem CID171131122
Molecular FormulaC12H13F3N6O
Molecular Weight314.27 g/mol
Exact Mass314.11
IUPAC Name2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide
SMILESCc1ccnn1CC(=O)NN=Cc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C12H13F3N6O/c1-9-2-4-17-21(9)7-11(22)18-16-6-10-3-5-20(19-10)8-12(13,14)15/h2-6H,7-8H2,1H3,(H,18,22)
InChIKeyQEUAEZUPCCKRDE-UHFFFAOYSA-N
XLogP1.10
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide
CID 119056100
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(E)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide
CID 119056109
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]furan-3-carboxamide
CID 91969539
N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 6880038
N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide
CID 840866
2-(2-methyl-4-nitroimidazol-1-yl)-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide
CID 124854955
4-bromo-1,5-dimethyl-N-[(E)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]pyrazole-3-carboxamide
CID 119056089
4-chloro-1,5-dimethyl-N-[(E)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]pyrazole-3-carboxamide
CID 119056066
N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 5422920
2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741219
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 135781995
(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(E)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]propanamide
CID 124877745

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide (CID 171131122) is 2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide is Cc1ccnn1CC(=O)NN=Cc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide?
The InChIKey is QEUAEZUPCCKRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N6O/c1-9-2-4-17-21(9)7-11(22)18-16-6-10-3-5-20(19-10)8-12(13,14)15/h2-6H,7-8H2,1H3,(H,18,22).
What are the key properties of 2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide?
2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide has a molecular weight of 314.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 171131122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).